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Gernot Frenking - Publications

Affiliations: 
Philipps-Universität Marburg, Marburg, Hessen, Germany 
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Year Citation  Score
2023 Kalkuhl TL, Qin L, Zhao L, Frenking G, Hadlington TJ. On the σ-complex character of bis(gallyl)/digallane transition metal species. Chemical Science. 14: 11088-11095. PMID 37860650 DOI: 10.1039/d3sc03772j  0.398
2023 Yu CH, Au-Yeung KC, Liu R, Lee CH, Jiang D, Aweke BS, Wu CH, Wang YJ, Wang TH, Kong KV, Yap GPA, Chen WC, Frenking G, Zhao L, Ong TG. Diversification of Carbodicarbene Class by Embedding an Anionic Component in its Scaffold. Chemistry (Weinheim An Der Bergstrasse, Germany). e202302886. PMID 37730960 DOI: 10.1002/chem.202302886  0.432
2023 Merino G, Solà M, Fernández I, Foroutan-Nejad C, Lazzeretti P, Frenking G, Anderson HL, Sundholm D, Cossío FP, Petrukhina MA, Wu J, Wu JI, Restrepo A. Aromaticity: Quo Vadis. Chemical Science. 14: 5569-5576. PMID 37265727 DOI: 10.1039/d2sc04998h  0.456
2023 Liu R, Qin L, Zhang Z, Zhao L, Sagan F, Mitoraj M, Frenking G. Genuine quadruple bonds between two main-group atoms. Chemical bonding in AeF (Ae = Be-Ba) and isoelectronic EF (E = B-Tl) and the particular role of d orbitals in covalent interactions of heavier alkaline-earth atoms. Chemical Science. 14: 4872-4887. PMID 37181783 DOI: 10.1039/d3sc00830d  0.495
2023 Liu YQ, Wang MH, Yan B, Li L, Pan S, Cui ZH, Frenking G. Quest of Quadruple Bonding Between Two Main-Group Atoms in AeB- and AeC (Ae = Ca, Sr, Ba) and the Role of d Orbitals of Heavier Alkaline-Earth Atoms in Covalent Interactions. Chemistry (Weinheim An Der Bergstrasse, Germany). e202300446. PMID 36883663 DOI: 10.1002/chem.202300446  0.308
2023 Liu M, Yang X, Sun Q, Wang T, Pei R, Yang X, Zhao Y, Zhao L, Frenking G, Wang X. The Lewis acid-mediated radical stabilization and dynamic covalent bonding: tunable, reversible and photocontrollable. Angewandte Chemie (International Ed. in English). e202300068. PMID 36862058 DOI: 10.1002/anie.202300068  0.374
2022 Obi AD, Dickie DA, Tiznado W, Frenking G, Pan S, Gilliard RJ. A Multidimensional Approach to Carbodiphosphorane-Bismuth Coordination Chemistry: Cationization, Redox-Flexibility, and Stabilization of a Crystalline Bismuth Hydridoborate. Inorganic Chemistry. 61: 19452-19462. PMID 36412917 DOI: 10.1021/acs.inorgchem.2c03337  0.309
2022 Wang D, Zhai C, Chen Y, He Y, Chen XD, Wang S, Zhao L, Frenking G, Wang X, Tan G. An isolable germylyne radical with a one-coordinate germanium atom. Nature Chemistry. PMID 36344822 DOI: 10.1038/s41557-022-01081-1  0.442
2022 Zhao L, Pan S, Frenking G. The nature of the polar covalent bond. The Journal of Chemical Physics. 157: 034105. PMID 35868915 DOI: 10.1063/5.0097304  0.465
2022 Wang L, Pan S, Wang G, Zeng X, Zhou M, Frenking G. Triple bonding between beryllium and nitrogen in HNBeCO. Chemical Communications (Cambridge, England). PMID 35802125 DOI: 10.1039/d2cc02969c  0.326
2022 Ding C, Yao L, Zhao L, Frenking G. How to capture CO: structures and bonding of neutral and charged complexes [(NHC)-CO-(NHC)] (NHC = N-heterocyclic carbene; = 0, 1+, 2+). Physical Chemistry Chemical Physics : Pccp. PMID 35770713 DOI: 10.1039/d2cp02598a  0.492
2022 Zhou Y, Pan S, Dong X, Wang L, Zhou M, Frenking G. Generation and Characterization of the Charge-Transferred Diradical Complex CaCO with an Open-Shell Singlet Ground State. Journal of the American Chemical Society. 144: 8355-8361. PMID 35482295 DOI: 10.1021/jacs.2c02768  0.304
2022 Liu Z, McKay AI, Zhao L, Forsyth CM, Jevtović V, Petković M, Frenking G, Vidović D. Carbodiphosphorane-Stabilized Parent Dioxophosphorane: A Valuable Synthetic HOP Source. Journal of the American Chemical Society. 144: 7357-7365. PMID 35436104 DOI: 10.1021/jacs.2c00936  0.369
2021 Thomas-Hargreaves LR, Pan S, Ivlev SI, Frenking G, Buchner MR. π Back-Donation from a Beryllium Dibromide Fragment at the Expense of Its σ Strength. Inorganic Chemistry. PMID 34894684 DOI: 10.1021/acs.inorgchem.1c03449  0.353
2021 McManus C, Hicks J, Cui X, Zhao L, Frenking G, Goicoechea JM, Aldridge S. Coinage metal aluminyl complexes: probing regiochemistry and mechanism in the insertion and reduction of carbon dioxide. Chemical Science. 12: 13458-13468. PMID 34777765 DOI: 10.1039/d1sc04676d  0.414
2021 Frenking G, Fernández I, Holzmann N, Pan S, Krossing I, Zhou M. Metal-CO Bonding in Mononuclear Transition Metal Carbonyl Complexes. Jacs Au. 1: 623-645. PMID 34467324 DOI: 10.1021/jacsau.1c00106  0.507
2021 Dong X, Ding C, Zhang Q, Chen M, Zhao L, Zhou M, Frenking G. Covalent Bonding Between Be and CO in BeOCO with a Surprisingly High Antisymmetric OCO Stretching Vibration. Journal of the American Chemical Society. PMID 34449204 DOI: 10.1021/jacs.1c06407  0.447
2021 Su W, Ma Y, Xiang L, Wang J, Wang S, Zhao L, Frenking G, Ye Q. Isolation of a Uranium(III)-Carbon Multiple Bond Complex. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 33913186 DOI: 10.1002/chem.202100699  0.481
2021 Frenking G, Jin X, Zhou Y, Wang G, Bai Y, Zhao L, Zhou M. Highly Coordinated Heteronuclear Calcium-Iron Carbonyl Cation Complexes [CaFe(CO)n]+ (n = 5 - 12) with d-d Bonding. Angewandte Chemie (International Ed. in English). PMID 33826215 DOI: 10.1002/anie.202103267  0.439
2021 Siddiqui MM, Sarkar SK, Nazish M, Morganti M, Köhler C, Cai J, Zhao L, Herbst-Irmer R, Stalke D, Frenking G, Roesky HW. Donor-Stabilized Antimony(I) and Bismuth(I) Ions: Heavier Valence Isoelectronic Analogues of Carbones. Journal of the American Chemical Society. PMID 33434020 DOI: 10.1021/jacs.0c12084  0.406
2021 Pan S, Zhao L, Frenking G. Bonding in M(NHBMe)2 and M[Mn(CO)5]2 complexes (M=Zn, Cd, Hg; NHBMe=(HCNMe)2B): divalent group 12 metals with zero oxidation state Theoretical Chemistry Accounts. 140. DOI: 10.1007/s00214-021-02751-y  0.455
2020 Walley J, Warring L, Wang G, Dickie DA, Pan S, Frenking G, Gilliard RJ. Carbodicarbene Bismaalkene Cations: Unravelling the Complexities of Carbene versus Carbone in Heavy Pnictogen Chemistry. Angewandte Chemie (International Ed. in English). PMID 33290596 DOI: 10.1002/anie.202014398  0.325
2020 Leung TF, Jiang D, Wu MC, Xiao D, Ching WM, Yap GPA, Yang T, Zhao L, Ong TG, Frenking G. Isolable dicarbon stabilized by a single phosphine ligand. Nature Chemistry. PMID 33257886 DOI: 10.1038/s41557-020-00579-w  0.48
2020 Ortolan AO, Caramori GF, Parreira RLT, Orenha RP, Muñoz-Castro A, Frenking G. The bonding situation in heteromultimetallic carbonyl complexes. Dalton Transactions (Cambridge, England : 2003). PMID 33166376 DOI: 10.1039/d0dt02916e  0.625
2020 Zhao L, Chai C, Petz W, Frenking G. Carbones and Carbon Atom as Ligands in Transition Metal Complexes. Molecules (Basel, Switzerland). 25. PMID 33114580 DOI: 10.3390/molecules25214943  0.42
2020 Frenking G, Zhao L, Zhou M, Pan S, Deng G, Wang G, Jin J. Generation and Identification of the Linear OCBNO and OBNCO Molecules with 24-Valence Electrons. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 33104262 DOI: 10.1002/chem.202003886  0.49
2020 Pan S, Manoj S, Frenking G. Quadruple bonding of bare group-13 atoms in transition metal complexes. Dalton Transactions (Cambridge, England : 2003). PMID 33030176 DOI: 10.1039/d0dt02773a  0.312
2020 Frenking G, Deng G, Pan S, Dong X, Wang G, Zhao L, Zhou M. CO-Induced Dinitrogen Fixation and Cleavage Mediated by Boron. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32990332 DOI: 10.1002/chem.202004357  0.484
2020 Krossing I, Frenking G, Kratzert D, Bohnenberger J, Gorantla SMNVT, Pan S. Group Six Hexacarbonyls as Ligands for the Silver Cation: Syntheses, Characterization and Analysis of the Bonding compared to the isoelectronic Group 5 Hexacarbonylates. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32964504 DOI: 10.1002/Chem.202003934  0.368
2020 Frenking G, Gorantla SM, Pan S, Mondal KC. Stabilization of linear C3 by two donor ligands. A theoretical study of L-C3-L (L = PPh3, NHCMe, cAACMe). Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32743817 DOI: 10.1002/Chem.202003064  0.423
2020 Frenking G, Fernández I, Holzmann N. The Valence Orbitals of the Alkaline Earth Atoms. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32666598 DOI: 10.1002/Chem.202002986  0.557
2020 Yang W, Zhang L, Xiao D, Feng R, Wang W, Pan S, Zhao Y, Zhao L, Frenking G, Wang X. A diradical based on odd-electron σ-bonds. Nature Communications. 11: 3441. PMID 32651366 DOI: 10.1038/S41467-020-17303-4  0.508
2020 Frenking G, Deng G, Pan S, Wang G, Zhao L, Zhou M. Beryllium Atom Mediated Dinitrogen Activation via Coupling with Carbon Monoxide. Angewandte Chemie (International Ed. in English). PMID 32583528 DOI: 10.1002/Anie.202007241  0.559
2020 Ponduru TT, Wang G, Manoj S, Pan S, Zhao L, Frenking G, Dias HVR. Synthesis and characterization of heterometallic complexes involving coinage metals and isoelectronic Fe(CO), [Mn(CO)] and [Fe(CO)CN] ligands. Dalton Transactions (Cambridge, England : 2003). PMID 32542268 DOI: 10.1039/D0Dt01590C  0.44
2020 Bettens T, Pan S, De Proft F, Geerlings P, Frenking G. Alkaline Earth Metals Activate N2 and CO in Cubic Complexes just like Transition Metals Do: A Conceptual DFT and EDA Study. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32515082 DOI: 10.1002/Chem.202001585  0.393
2020 Harder S, Stegner P, Färber C, Wiesinger M, Langer J, Oetzel J, Siemeling U, Albold U, Sarkar B, Frenking G, Pan S, Holzmann N. d -d Dative Bonding Between Iron and the Alkaline Earth Metals Calcium, Strontium and Barium. Angewandte Chemie (International Ed. in English). PMID 32463527 DOI: 10.1002/Anie.202005774  0.402
2020 Pan S, Frenking G. Comment on "Realization of Lewis Basic Sodium Anion in the NaBH Cluster". Angewandte Chemie (International Ed. in English). PMID 32249989 DOI: 10.1002/Anie.202000229  0.354
2020 Frenking G, Zhou M, Pan S, Deng G, Zhao L, Wang G. Side-on Bonded Beryllium Dinitrogen Complexes. Angewandte Chemie (International Ed. in English). PMID 32196126 DOI: 10.1002/Anie.202002621  0.504
2020 Frenking G, Zhao L, Zhou M, Pan S, Deng G, Lei S, Wang G, Jin J. Filling a Gap: The Coordinatively Saturated Group 4 Carbonyl Complexes TM(CO)8 (TM = Zr, Hf) and Ti(CO)7. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32191361 DOI: 10.1002/Chem.201905552  0.53
2020 Wang G, Walley JE, Dickie DA, Pan S, Frenking G, Gilliard RJ. A Stable, Crystalline Beryllium Radical Cation. Journal of the American Chemical Society. PMID 32088963 DOI: 10.1021/Jacs.9B13777  0.32
2020 Pan S, Frenking G. Comment on "Revisiting π backbonding: the influence of d orbitals on metal-CO bonds and ligand red shifts" by D. Koch, Y. Chen, P. Golub and S. Manzhos, Phys. Chem. Chem. Phys., 2019, 21, 20814. Physical Chemistry Chemical Physics : Pccp. PMID 32077870 DOI: 10.1039/C9Cp05951B  0.343
2020 Kneusels NH, Münzer JE, Flosdorf K, Jiang D, Neumüller B, Zhao L, Eichhöfer A, Frenking G, Kuzu I. Double donation in trigonal planar iron-carbodiphosphorane complexes - a concise study on their spectroscopic and electronic properties. Dalton Transactions (Cambridge, England : 2003). PMID 32022052 DOI: 10.1039/C9Dt04725E  0.464
2020 Cui H, Xiao D, Zhang L, Ruan H, Fang Y, Zhao Y, Tan G, Zhao L, Frenking G, Driess M, Wang X. Isolable cyclic radical cations of heavy main-group elements. Chemical Communications (Cambridge, England). PMID 31970366 DOI: 10.1039/C9Cc09582A  0.488
2020 Fu M, Pan S, Zhao L, Frenking G. Bonding Analysis of the Shortest Bond between Two Atoms Heavier than Hydrogen and Helium: O. The Journal of Physical Chemistry. A. PMID 31951409 DOI: 10.1021/Acs.Jpca.9B11117  0.523
2020 Buchner MR, Pan S, Poggel C, Spang N, Müller M, Frenking G, Sundermeyer J. Di-ortho-beryllated Carbodiphosphorane: A Compound with a Metal–Carbon Double Bond to an Element of the s-Block Organometallics. 39: 3224-3231. DOI: 10.1021/Acs.Organomet.0C00434  0.384
2020 Holzmann N, Fernández I, Frenking G. Comment on “Topological Analysis of the Electron Density in the Carbonyl Complexes M(CO)8 (M = Ca, Sr, Ba)” Organometallics. 39: 2956-2958. DOI: 10.1021/Acs.Organomet.0C00419  0.492
2020 Bettens T, Pan S, Proft FD, Frenking G, Geerlings P. Alkaline Earth Metals Activate N2 and CO in Cubic Complexes Just Like Transition Metals: A Conceptual Density Functional Theory and Energy Decomposition Analysis Study. Chemistry: a European Journal. DOI: 10.1002/Chem.202003969  0.394
2019 Yang W, Krantz K, Freeman L, Dickie D, Molino A, Frenking G, Pan S, Wilson D, Gilliard RJ. Persistent Borafluorene Radicals. Angewandte Chemie (International Ed. in English). PMID 31816143 DOI: 10.1002/Anie.201909627  0.374
2019 Su W, Pan S, Sun X, Zhao L, Frenking G, Zhu C. Cerium-carbon dative interactions supported by carbodiphosphorane. Dalton Transactions (Cambridge, England : 2003). PMID 31620743 DOI: 10.1039/C9Dt03770E  0.543
2019 Frenking G, Zhou M, Wang Q, Pan S, Deng G, Zhao L, Wang G, Wu YB. Transition-Metal Chemistry of Alkaline-Earth Elements: The Trisbenzene Complexes M(Bz)3 (M = Sr, Ba). Angewandte Chemie (International Ed. in English). PMID 31498532 DOI: 10.1002/Anie.201908572  0.534
2019 Zhao L, Pan S, Zhou M, Frenking G. Response to Comment on "Observation of alkaline earth complexes M(CO) (M = Ca, Sr, or Ba) that mimic transition metals". Science (New York, N.Y.). 365. PMID 31395758 DOI: 10.1126/Science.Aay5021  0.456
2019 Wang Q, Pan S, Lei S, Jin J, Deng G, Wang G, Zhao L, Zhou M, Frenking G. Octa-coordinated alkaline earth metal-dinitrogen complexes M(N) (M=Ca, Sr, Ba). Nature Communications. 10: 3375. PMID 31358748 DOI: 10.1038/S41467-019-11323-5  0.488
2019 Frenking G, Zhou M, Zhao L, Pan S, Chi C, Jin J, Meng L, Luo M. Octacarbonyl Ion Complexes of Actinides [An(CO)8]+/- (An = Th, U) and the Role of f Orbitals in Metal-Ligand Bonding. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31276242 DOI: 10.1002/Chem.201902625  0.508
2019 Zhao L, Pan S, Holzmann N, Schwerdtfeger P, Frenking G. Chemical Bonding and Bonding Models of Main-Group Compounds. Chemical Reviews. PMID 31251603 DOI: 10.1021/Acs.Chemrev.8B00722  0.62
2019 Grützmacher H, Chen X, Li Z, Frenking G, Fernandez I, Zhao L. Bent phosphaallenes with "hidden" lone pairs as ligands. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30927503 DOI: 10.1002/Chem.201900645  0.629
2019 Sinhababu S, Kundu S, Siddiqui MM, Paesch AN, Herbst-Irmer R, Schwederski B, Saha P, Zhao L, Frenking G, Kaim W, Stalke D, Roesky HW. Synthesis of cAAC stabilized biradical of "MeSi" and "MeSiCl" monoradical from MeSiCl - an important feedstock material. Chemical Communications (Cambridge, England). PMID 30924826 DOI: 10.1039/C9Cc01448A  0.47
2019 Siddiqui MM, Sarkar SK, Sinhababu S, Ruth PN, Herbst-Irmer R, Stalke D, Ghosh M, Fu M, Zhao L, Casanova D, Frenking G, Schwederski B, Kaim W, Roesky HW. Isolation of Transient Acyclic Germanium(I) Radicals Stabilized by Cyclic Alkylamino Carbenes. Journal of the American Chemical Society. PMID 30633503 DOI: 10.1021/Jacs.8B13434  0.486
2019 Yang T, Andrada DM, Frenking G. Dative versus electron-sharing bonding in N-imides and phosphane imides R3ENX and relative energies of the R2EN(X)R isomers (E = N, P; R = H, Cl, Me, Ph; X = H, F, Cl)* Molecular Physics. 117: 1306-1314. DOI: 10.1080/00268976.2018.1542166  0.35
2019 Zhao L, Hermann M, Schwarz WHE, Frenking G. The Lewis electron-pair bonding model: modern energy decomposition analysis Nature Reviews Chemistry. 3: 48-63. DOI: 10.1038/s41570-018-0060-4  0.419
2019 Zhao L, Schwarz WHE, Frenking G. The Lewis electron-pair bonding model: the physical background, one century later Nature Reviews Chemistry. 3: 35-47. DOI: 10.1038/s41570-018-0052-4  0.389
2019 Pecher L, Pan S, Frenking G. Chemical bonding in the hexamethylbenzene–SO 2+ dication Theoretical Chemistry Accounts. 138: 1-6. DOI: 10.1007/S00214-019-2434-1  0.413
2019 Fernández I, Frenking G. The Diels–Alder Reaction from the EDA‐NOCV Perspective: A Re‐Examination of the Frontier Molecular Orbital Model European Journal of Organic Chemistry. 2019: 478-485. DOI: 10.1002/Ejoc.201800888  0.479
2019 Flosdorf K, Jiang D, Zhao L, Neumüller B, Frenking G, Kuzu I. An Experimental and Theoretical Study of the Structures and Properties of [CDPMe‐Ni(CO)3] and [Ni2(CO)4(µ2‐CO)(µ2‐CDPMe)] European Journal of Inorganic Chemistry. 2019: 4546-4554. DOI: 10.1002/Ejic.201900806  0.41
2018 Frenking G, Zhao L, Zhou M. Octacarbonyl Anion Complexes of the Late Lanthanides Ln(CO)8- (Ln = Tm, Yb, Lu) and the 32-Electron Rule. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30566753 DOI: 10.1002/Chem.201805260  0.526
2018 Frenking G, Zhou M, Chi C, Meng L, Luo M, Pan S, Zhao L. Alkali Metal Covalent Bonding in Nickel Carbonyl Complexes ENi(CO)3. Angewandte Chemie (International Ed. in English). PMID 30548753 DOI: 10.1002/Anie.201813022  0.545
2018 Su W, Pan S, Sun X, Wang S, Zhao L, Frenking G, Zhu C. Double dative bond between divalent carbon(0) and uranium. Nature Communications. 9: 4997. PMID 30479324 DOI: 10.1038/S41467-018-07377-6  0.538
2018 Wu X, Zhao L, Jiang D, Fernández I, Berger R, Zhou M, Frenking G. Corrigendum: Barium as Honorary Transition Metal in Action: Experimental and Theoretical Study of Ba(CO) and Ba(CO). Angewandte Chemie (International Ed. in English). 57: 15630-15631. PMID 30457218 DOI: 10.1002/Anie.201810781  0.553
2018 Jones C, Kelly JA, Jückel M, Hadlington TJ, Fernández I, Frenking G. Synthesis and Reactivity Studies of Amido-Substituted Germanium(I)/Tin(I) Dimers and Clusters. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30370947 DOI: 10.1002/Chem.201804770  0.581
2018 Jerabek P, Schwerdtfeger P, Frenking G. Dative and electron-sharing bonding in transition metal compounds. Journal of Computational Chemistry. PMID 30365176 DOI: 10.1002/Jcc.25584  0.616
2018 Hornung J, Weßing J, Jerabek P, Gemel C, Pöthig A, Frenking G, Fischer RA. Suppressed Phosphine Dissociation by Polarization Effects on the Donor-Acceptor Bonds in [Ni(PEt)(ECp*) ] (E = Al, Ga). Inorganic Chemistry. PMID 30247024 DOI: 10.1021/Acs.Inorgchem.8B01817  0.371
2018 Wu X, Zhao L, Jin J, Pan S, Li W, Jin X, Wang G, Zhou M, Frenking G. Observation of alkaline earth complexes M(CO) (M = Ca, Sr, or Ba) that mimic transition metals. Science (New York, N.Y.). 361: 912-916. PMID 30166489 DOI: 10.1126/Science.Aau0839  0.504
2018 Frenking G, Foroutan-Nejad C, Straka M, Fernandez I. Buckyball Difluoride F2-@C60+; a Single-Molecule Crystal. Angewandte Chemie (International Ed. in English). PMID 30152567 DOI: 10.1002/Anie.201809699  0.486
2018 Bonyhady SJ, Collis D, Holzmann N, Edwards AJ, Piltz RO, Frenking G, Stasch A, Jones C. Anion stabilised hypercloso-hexaalane AlH. Nature Communications. 9: 3079. PMID 30082681 DOI: 10.1038/S41467-018-05504-X  0.346
2018 Kundu S, Sinhababu S, Siddiqui MM, Luebben AV, Dittrich B, Yang T, Frenking G, Roesky HW. Comparison of Two Phosphinidenes Binding to Silicon(IV)dichloride as well as to Silylene. Journal of the American Chemical Society. PMID 30011193 DOI: 10.1021/Jacs.8B06230  0.333
2018 Pan S, Zhao L, Dias HVR, Frenking G. Bonding in Binuclear Carbonyl Complexes M(CO) (M = Fe, Ru, Os). Inorganic Chemistry. PMID 29900734 DOI: 10.1021/Acs.Inorgchem.8B00851  0.571
2018 Frenking G, Poggel C. Relativistic Effects on Donor-Acceptor Interactions in Coinage Metal Carbonyl Complexes [TM(CO)n]+ (TM = Cu, Ag, Au; n = 1, 2). Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29718560 DOI: 10.1002/Chem.201801410  0.381
2018 Yang T, Andrada DM, Frenking G. Dative versus electron-sharing bonding in N-oxides and phosphane oxides REO and relative energies of the REOR isomers (E = N, P; R = H, F, Cl, Me, Ph). A theoretical study. Physical Chemistry Chemical Physics : Pccp. PMID 29662997 DOI: 10.1039/C8Cp00951A  0.397
2018 Frenking G, Zhou M, Jin J, Xin K, Wang G, Jin X, Yang T. Octacarbonyl Anion Complexes of Group-3 Elements [TM(CO)8]- (TM = Sc, Y, La) and the 18-Electron Rule. Angewandte Chemie (International Ed. in English). PMID 29578636 DOI: 10.1002/Anie.201802590  0.398
2018 Frenking G, Andrada D, Pendas A. Dative and Electron-Sharing Bonding in C2F4. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29578617 DOI: 10.1002/Chem.201800680  0.398
2018 Li WL, Lu JB, Zhao L, Ponec R, Cooper DL, Li J, Frenking G. Electronic Structure and Bonding Situation in MO(M = Be, Mg, Ca) Rhombic Clusters. The Journal of Physical Chemistry. A. PMID 29466003 DOI: 10.1021/Acs.Jpca.8B01335  0.515
2018 Frenking G, Zhao L, Fernandez I, Berger R, Zhou M, Jiang D. Barium as honorary transition metal in action: Experimental and theoretical study of [Ba(CO)]+ and [Ba(CO)]. Angewandte Chemie (International Ed. in English). PMID 29431895 DOI: 10.1002/Anie.201713002  0.631
2018 Wu Z, Feng R, Xu J, Lu Y, Lu B, Yang T, Frenking G, Trabelsi T, Francisco JS, Zeng X. Photoinduced Sulfur-Nitrogen Bond Rotation and Thermal Nitrogen Inversion in Heterocumulene OSNSO. Journal of the American Chemical Society. PMID 29307182 DOI: 10.1021/Jacs.7B12622  0.306
2017 Frenking G. Covalent Bonding and Charge Shift Bonds: Comment on "The Carbon-Nitrogen Bonds in Ammonium Compounds Are Charge Shift Bonds". Chemistry (Weinheim An Der Bergstrasse, Germany). 23: 18320-18324. PMID 29240256 DOI: 10.1002/Chem.201704244  0.395
2017 Roesky HW, Sinhababu S, Kundu S, Paesch A, Herbst-Irmer R, Stalke D, Fernández I, Frenking G, Stückl C, Schwederski B, Kaim W. A Route to Base Coordinate Silicon Difluoride and the Silicon Trifluoride Radical. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29222870 DOI: 10.1002/Chem.201705773  0.489
2017 Juckel MM, Hicks J, Jiang D, Zhao L, Frenking G, Jones C. An acyclic zincagermylene: rapid activation of dihydrogen at sub-ambient temperature. Chemical Communications (Cambridge, England). PMID 29134221 DOI: 10.1039/C7Cc08430G  0.471
2017 Dias R, Wang G, Ponduru TT, Wang Q, Zhao L, Frenking G. Heterobimetallic Complexes Featuring Fe(CO)5 as a Ligand on Gold. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 29078009 DOI: 10.1002/Chem.201704978  0.441
2017 Rezabal E, Ugalde JMM, Frenking G. The Trans Effect in Palladium Phosphine Sulfonate Complexes. The Journal of Physical Chemistry. A. PMID 28926249 DOI: 10.1021/Acs.Jpca.7B06856  0.354
2017 Frenking G, Zeng X, Francisco J. Parent Thioketene S-oxide H2CCSO: Gas-phase Generation, Structure and Bonding Analysis. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28872716 DOI: 10.1002/Chem.201703161  0.324
2017 Roesky HW, Chen S, Li B, Wang X, Huang Y, Li J, Zhu H, Zhao L, Frenking G. A C(sp2)H Dehydrogenation of Heteroarene and Arene by a Functionalized Aluminum Hydride. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28833747 DOI: 10.1002/Chem.201703804  0.514
2017 Chen WC, Shih WC, Jurca T, Zhao L, Andrada DM, Peng CJ, Chang CC, Liu SK, Wang YP, Wen YS, Yap GPA, Hsu CP, Frenking G, Ong TG. Carbodicarbenes: Unexpected π-Accepting Ability during Re-activity with Small Molecules. Journal of the American Chemical Society. PMID 28813602 DOI: 10.1021/Jacs.7B08031  0.511
2017 Kundu S, Samuel PP, Sinhababu S, Luebben AV, Dittrich B, Andrada DM, Frenking G, Stückl AC, Schwederski B, Paretzki A, Kaim W, Roesky HW. Organosilicon Radicals with Si-H and Si-Me Bonds from Commodity Precursors. Journal of the American Chemical Society. PMID 28745880 DOI: 10.1021/Jacs.7B06610  0.381
2017 Nunzi F, Cesario D, Pirani F, Belpassi L, Frenking G, Grandinetti F, Tarantelli F. Helium Accepts Back-Donation In Highly Polar Complexes: New Insights into the Weak Chemical Bond. The Journal of Physical Chemistry Letters. PMID 28636399 DOI: 10.1021/Acs.Jpclett.7B01320  0.382
2017 Kundu S, Samuel PP, Luebben A, Andrada DM, Frenking G, Dittrich B, Roesky HW. Carbene stabilized interconnected bis-germylene and its silicon analogue with small methyl substituents. Dalton Transactions (Cambridge, England : 2003). PMID 28604912 DOI: 10.1039/C7Dt01796K  0.383
2017 Ghadwal RS, Rottschäfer D, Andrada DM, Frenking G, Schürmann CJ, Stammler HG. Normal-to-abnormal rearrangement of an N-heterocyclic carbene with a silylene transition metal complex. Dalton Transactions (Cambridge, England : 2003). 46: 7791-7799. PMID 28590484 DOI: 10.1039/C7Dt01199G  0.381
2017 Li Z, Chen X, Andrada DM, Frenking G, Benkö Z, Li Y, Harmer JR, Su CY, Grützmacher H. (L)2 C2 P2 : Dicarbondiphosphide Stabilized by N-Heterocyclic Carbenes or Cyclic Diamido Carbenes. Angewandte Chemie (International Ed. in English). PMID 28436079 DOI: 10.1002/Anie.201612247  0.368
2017 Braunschweig H, Celik M, Dellermann T, Frenking G, Hammond K, Hupp F, Kelch H, Krummenacher I, Lindl F, Mailänder L, Müssig J, Ruppert A. Scope of the Thermal Ring Expansion Reaction of Boroles with Organoazides. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28430374 DOI: 10.1002/Chem.201700749  0.317
2017 Grande-Aztatzi R, Mercero JM, Matito E, Frenking G, Ugalde JM. The aromaticity of dicupra[10]annulenes. Physical Chemistry Chemical Physics : Pccp. PMID 28349150 DOI: 10.1039/C7Cp00092H  0.374
2017 Jin J, Zhao L, Wu X, Li W, Liu Y, Andrada DM, Zhou M, Frenking G. Dicarbonyls of Carbon and Methylidyne Cations. The Journal of Physical Chemistry. A. PMID 28346783 DOI: 10.1021/Acs.Jpca.7B00739  0.45
2017 Kundu S, Li B, Kretsch J, Herbst-Irmer R, Andrada DM, Frenking G, Stalke D, Roesky HW. An Electrophilic Carbene-Anchored Silylene-Phosphinidene. Angewandte Chemie (International Ed. in English). PMID 28294510 DOI: 10.1002/Anie.201700420  0.314
2017 Pan S, Saha R, Osorio E, Chattaraj PK, Frenking G, Merino G. Ligand Supported E3 Clusters (E = Si-Sn). Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28272760 DOI: 10.1002/Chem.201700494  0.345
2017 Li B, Kundu S, Zhu H, Keil H, Herbst-Irmer R, Stalke D, Frenking G, Andrada DM, Roesky HW. An open route to asymmetric substituted Al-Al bonds using Al(i)- and Al(iii)-precursors. Chemical Communications (Cambridge, England). PMID 28180224 DOI: 10.1039/C7Cc00325K  0.305
2017 Scharf LT, Andrada DM, Frenking G, Gessner VH. The Bonding Situation in Metalated Ylides. Chemistry (Weinheim An Der Bergstrasse, Germany). 23: 4422-4434. PMID 28121371 DOI: 10.1002/Chem.201605997  0.45
2017 Saha R, Pan S, Frenking G, Chattaraj PK, Merino G. The strongest CO binding and the highest C-O stretching frequency. Physical Chemistry Chemical Physics : Pccp. PMID 28054679 DOI: 10.1039/C6Cp06824C  0.32
2017 Hermann M, Frenking G. Carbones as Ligands in Novel Main-Group Compounds E[C(NHC) ] (E=Be, B , C , N , Mg, Al , Si , P ): A Theoretical Study. Chemistry (Weinheim An Der Bergstrasse, Germany). 23: 3347-3356. PMID 28004870 DOI: 10.1002/Chem.201604801  0.417
2017 Andrada DM, Holzmann N, Frenking G. Corrigendum: Bonding analysis of ylidone complexes EL2 (E = C–Pb) with phosphine and carbene ligands L Canadian Journal of Chemistry. 95: 632-632. DOI: 10.1139/Cjc-2017-0050  0.368
2017 Zhao L, Petz W, Frenking G, Kuzu I, Neumüller B. Synthesis and bonding model of chelate stabilized [Ph 2 P(CH 2 ) n PPh 2 CF 2 ] 2+ (n=2, 3) dications Journal of Fluorine Chemistry. 196: 72-80. DOI: 10.1016/J.Jfluchem.2016.09.008  0.497
2017 Zhao L, Hermann M, Holzmann N, Frenking G. Dative bonding in main group compounds Coordination Chemistry Reviews. 344: 163-204. DOI: 10.1016/J.Ccr.2017.03.026  0.557
2017 Petz W, Andrada DM, Hermann M, Frenking G, Neumüller B. A C2 Fragment as Four‐Electron σ Donor Zeitschrift FüR Anorganische Und Allgemeine Chemie. 643: 1096-1099. DOI: 10.1002/Zaac.201700204  0.353
2016 Freitag K, Molon M, Jerabek P, Dilchert K, Rösler C, Seidel RW, Gemel C, Frenking G, Fischer RA. Zn···Zn interactions at nickel and palladium centers. Chemical Science. 7: 6413-6421. PMID 28451097 DOI: 10.1039/C6Sc02106A  0.426
2016 Frenking G, Li J, Zhou M. A very short Be-Be distance but no bond: Synthesis and bonding analysis of Ng-Be2O2-Ng' (Ng, Ng' = Ne, Ar, Kr, Xe). Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28009065 DOI: 10.1002/Chem.201605994  0.412
2016 Li B, Kundu S, Stückl AC, Zhu H, Keil H, Herbst-Irmer R, Stalke D, Schwederski B, Kaim W, Andrada DM, Frenking G, Roesky HW. A Stable Neutral Radical in the Coordination Sphere of Aluminum. Angewandte Chemie (International Ed. in English). PMID 27976487 DOI: 10.1002/Anie.201609101  0.43
2016 Frenking G, Hermann M. Comment on "The Quadruple Bonding in C Reproduces the Properties of the Molecule". Chemistry (Weinheim An Der Bergstrasse, Germany). 22: 18975-18976. PMID 27943557 DOI: 10.1002/Chem.201601382  0.366
2016 Bonyhady SJ, Holzmann N, Frenking G, Stasch A, Jones C. Synthesis, Characterization, and Computational Analysis of the Dialanate Dianion, [H3 Al-AlH3 ](2-) : A Valence Isoelectronic Analogue of Ethane. Angewandte Chemie (International Ed. in English). PMID 27936312 DOI: 10.1002/Anie.201610601  0.315
2016 Georgiou DC, Zhao L, Wilson DJ, Frenking G, Dutton JL. NHC-Stabilised Acetylene-How Far Can the Analogy Be Pushed? Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27935139 DOI: 10.1002/Chem.201605495  0.537
2016 Dutton JL, Frenking G. New Avenues in s-Block Chemistry: Beryllium(0) Complexes. Angewandte Chemie (International Ed. in English). PMID 27530611 DOI: 10.1002/Anie.201606244  0.324
2016 Zhang Q, Jerabek P, Chen M, Zhou M, Frenking G. The Oxygen-Rich Beryllium Oxides BeO4 and BeO6. Angewandte Chemie (International Ed. in English). PMID 27494950 DOI: 10.1002/Anie.201606154  0.313
2016 Mohapatra C, Kundu S, Paesch AN, Herbst-Irmer R, Stalke D, Andrada DM, Frenking G, Roesky HW. The Structure of the Carbene Stabilized Si2H2 may be Equally well Described with Coordinate Bonds as with Classical Double Bonds. Journal of the American Chemical Society. PMID 27494691 DOI: 10.1021/Jacs.6B07361  0.379
2016 Zhao L, Hermann M, Jones C, Frenking G. Reaction Mechanism of the Hydrogermylation/Hydrostannylation of Unactivated Alkenes with Two-Coordinate E(II) Hydrides (E=Ge, Sn): A Theoretical Study. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27403941 DOI: 10.1002/Chem.201600666  0.523
2016 Grabowski SJ, Ugalde JM, Andrada DM, Frenking G. Comparison of Hydrogen and Gold Bonding in [XHX](-) , [XAuX](-) , and Isoelectronic [NgHNg](+) , [NgAuNg](+) (X=Halogen, Ng=Noble Gas). Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27381200 DOI: 10.1002/Chem.201601392  0.425
2016 Petz W, Kuzu I, Frenking G, Andrada DM, Neumüller B, Fritz M, Münzer JE. Proton Affinities of Cationic Carbone Adducts [AC(PPh3 )2 ](+) (A=Halogen, Hydrogen, Methyl) and Unusual Electronic Structures of the Cations and Dications [AC(H)(PPh3 )2 ](2.) Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27166027 DOI: 10.1002/Chem.201600525  0.403
2016 Cui ZH, Yang WS, Zhao L, Ding YH, Frenking G. Unusually Short Be-Be Distances with and without a Bond in Be2 F2 and in the Molecular Discuses Be2 B8 and Be2 B7 (.) Angewandte Chemie (International Ed. in English). PMID 27095370 DOI: 10.1002/Anie.201601890  0.521
2016 Mondal KC, Roy S, Dittrich B, Andrada DM, Frenking G, Roesky HW. A Triatomic Silicon(0) Cluster Stabilized by a Cyclic Alkyl(amino) Carbene. Angewandte Chemie (International Ed. in English). PMID 26821613 DOI: 10.1002/Anie.201511019  0.346
2016 Frenking G, Hermann M, Andrada DM, Holzmann N. Donor-acceptor bonding in novel low-coordinated compounds of boron and group-14 atoms C-Sn. Chemical Society Reviews. 45: 1129-44. PMID 26815221 DOI: 10.1039/C5Cs00815H  0.427
2016 Jian J, Jin J, Qu H, Lin H, Chen M, Wang G, Zhou M, Andrada DM, Hermann M, Frenking G. Observation of Main-Group Tricarbonyls [B(CO)3 ] and [C(CO)3 ](+) Featuring a Tilted One-Electron Donor Carbonyl Ligand. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26773594 DOI: 10.1002/Chem.201504475  0.433
2016 Hermann M, Frenking G. The Chemical Bond in C2. Chemistry (Weinheim An Der Bergstrasse, Germany). 22: 4100-8. PMID 26756311 DOI: 10.1002/Chem.201503762  0.42
2016 Matta CF, Sadjadi S, Braden DA, Frenking G. The barrier to the methyl rotation in Cis-2-butene and its isomerization energy to Trans-2-butene, revisited. Journal of Computational Chemistry. 37: 143-54. PMID 26581645 DOI: 10.1002/Jcc.24223  0.402
2016 Andrada DM, Holzmann N, Frenking G. Bonding Analysis of Ylidone Complexes EL2 (E = C – Pb) with Phosphine and Carbene Ligands L Canadian Journal of Chemistry. 94: 1014. DOI: 10.1139/Cjc-2016-0263  0.483
2016 Nagurniak GR, Caramori GF, Parreira RLT, Bergamo PAS, Frenking G, Muñoz-Castro A. Shedding Light on the Nature of Host–Guest Interactions in PAHs-ExBox4+ Complexes The Journal of Physical Chemistry C. 120: 15480-15487. DOI: 10.1021/Acs.Jpcc.6B04844  0.784
2016 Wang H, Bethke C, Hermann M, Frenking G, Agarwal S. Structural Exploration of Phantom Oligoguanidine from Asymmetric Diamine and Guanidine Hydrochloride Macromolecular Chemistry and Physics. 217: 1834-1841. DOI: 10.1002/Macp.201600154  0.303
2015 Hadlington TJ, Hermann M, Frenking G, Jones C. Two-coordinate group 14 element(ii) hydrides as reagents for the facile, and sometimes reversible, hydrogermylation/hydrostannylation of unactivated alkenes and alkynes. Chemical Science. 6: 7249-7257. PMID 29861960 DOI: 10.1039/C5Sc03376D  0.338
2015 Holzmann N, Hermann M, Frenking G. The boron-boron triple bond in NHC→B 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 B←NHC. Chemical Science. 6: 4089-4094. PMID 29218175 DOI: 10.1039/C5Sc01504A  0.39
2015 Andrada DM, Holzmann N, Hamadi T, Frenking G. Direct estimate of the internal π-donation to the carbene centre within N-heterocyclic carbenes and related molecules. Beilstein Journal of Organic Chemistry. 11: 2727-36. PMID 26877795 DOI: 10.3762/Bjoc.11.294  0.442
2015 Sevastianova TN, Bodensteiner M, Maulieva AF, Davydova EI, Virovets AV, Peresypkina EV, Balázs G, Graßl C, Seidl M, Scheer M, Frenking G, Berezovskaya EA, Kazakov IV, Khoroshilova OV, Timoshkin AY. Versatile structures of group 13 metal halide complexes with 4,4'-bipy: from 1D coordination polymers to 2D and 3D metal-organic frameworks. Dalton Transactions (Cambridge, England : 2003). PMID 26564471 DOI: 10.1039/C5Dt03192C  0.354
2015 Zhang Q, Li WL, Xu CQ, Chen M, Zhou M, Li J, Andrada DM, Frenking G. Formation and Characterization of the Boron Dicarbonyl Complex [B(CO)2 ](.). Angewandte Chemie (International Ed. in English). 54: 11078-83. PMID 26246464 DOI: 10.1002/Anie.201503686  0.342
2015 Ghadwal RS, Schürmann CJ, Andrada DM, Frenking G. Mono- and di-cationic hydrido boron compounds. Dalton Transactions (Cambridge, England : 2003). 44: 14359-67. PMID 26200103 DOI: 10.1039/C5Dt02237A  0.319
2015 Andrada DM, Frenking G. Stabilization of heterodiatomic SiC through ligand donation: theoretical investigation of SiC(L)2 (L=NHC(Me) , CAAC(Me) , PMe3 ). Angewandte Chemie (International Ed. in English). 54: 12319-24. PMID 26193457 DOI: 10.1002/Anie.201502450  0.354
2015 Zhao L, Jones C, Frenking G. Reaction Mechanism of the Symmetry-Forbidden [2+2] Addition of Ethylene and Acetylene to Amido-Substituted Digermynes and Distannynes Ph2 NEENPh2 , (E=Ge, Sn): A Theoretical Study. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26189358 DOI: 10.1002/Chem.201501457  0.513
2015 Frenking G. Inorganic chemistry: Peculiar boron startles again. Nature. 522: 297-8. PMID 26085268 DOI: 10.1038/522297A  0.38
2015 Roy S, Mondal KC, Meyer J, Niepötter B, Köhler C, Herbst-Irmer R, Stalke D, Dittrich B, Andrada DM, Frenking G, Roesky HW. Synthesis, Characterization, and Theoretical Investigation of Two-Coordinate Palladium(0) and Platinum(0) Complexes Utilizing π-Accepting Carbenes. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 9312-8. PMID 25940809 DOI: 10.1002/Chem.201500758  0.372
2015 Fernández I, Frenking G, Merino G. Aromaticity of metallabenzenes and related compounds. Chemical Society Reviews. 44: 6452-63. PMID 25692666 DOI: 10.1039/C5Cs00004A  0.538
2015 Freitag K, Gemel C, Jerabek P, Oppel IM, Seidel RW, Frenking G, Banh H, Dilchert K, Fischer RA. The σ-aromatic clusters [Zn₃]⁺ and [Zn₂Cu]: embryonic brass. Angewandte Chemie (International Ed. in English). 54: 4370-4. PMID 25676739 DOI: 10.1002/Anie.201410737  0.35
2015 Frenking G, Caramori GF. No need for a re-examination of the electrostatic notation of the hydrogen bonding: a comment. Angewandte Chemie (International Ed. in English). 54: 2596-9. PMID 25651534 DOI: 10.1002/Anie.201411374  0.636
2015 Georgiou DC, Stringer BD, Hogan CF, Barnard PJ, Wilson DJ, Holzmann N, Frenking G, Dutton JL. The fate of NHC-stabilized dicarbon. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 3377-86. PMID 25588368 DOI: 10.1002/Chem.201405416  0.399
2015 Roy S, Stollberg P, Herbst-Irmer R, Stalke D, Andrada DM, Frenking G, Roesky HW. Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong intramolecular charge transfer transition. Journal of the American Chemical Society. 137: 150-3. PMID 25539016 DOI: 10.1021/Ja512089E  0.45
2015 Freitag K, Banh H, Gemel C, Jerabek P, Seidel RW, Frenking G, Fischer RA. Dizinc cation [Zn2](2+) trapped in a homoleptic metalloid coordination environment stabilized by dispersion forces: [Zn2(GaCp*)6][BAr4(F)]2. Inorganic Chemistry. 54: 352-8. PMID 25517995 DOI: 10.1021/Ic502532G  0.371
2015 Caramori GF, Piccoli RM, Segala M, Muñoz-Castro A, Guajardo-Maturana R, Andrada DM, Frenking G. Cyclic trinuclear copper(I), silver(I), and gold(I) complexes: a theoretical insight. Dalton Transactions (Cambridge, England : 2003). 44: 377-85. PMID 25385159 DOI: 10.1039/C4Dt02514H  0.656
2015 Fukushima T, Fukuda R, Kobayashi K, Caramori GF, Frenking G, Ehara M, Tanaka K. Proton-induced generation of remote N-heterocyclic carbene-Ru complexes. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 106-10. PMID 25382152 DOI: 10.1002/Chem.201404932  0.65
2015 Chen M, Zhang Q, Zhou M, Andrada DM, Frenking G. Carbon monoxide bonding with BeO and BeCO3 : surprisingly high CO stretching frequency of OCBeCO3. Angewandte Chemie (International Ed. in English). 54: 124-8. PMID 25369759 DOI: 10.1002/Anie.201406264  0.375
2015 Zhang Q, Chen M, Zhou M, Andrada DM, Frenking G. Experimental and theoretical studies of the infrared spectra and bonding properties of NgBeCO₃ and a comparison with NgBeO (Ng = He, Ne, Ar, Kr, Xe). The Journal of Physical Chemistry. A. 119: 2543-52. PMID 25321412 DOI: 10.1021/Jp509006U  0.405
2015 Ortolan AO, Caramori GF, Frenking G, Muñoz-Castro A. Role of the cation formal charge in cation–π interaction. A survey involving the [2.2.2]paracyclophane host from relativistic DFT calculations New Journal of Chemistry. 39: 9963-9968. DOI: 10.1039/C5Nj02384J  0.605
2015 Ulloa CO, Ponce-Vargas M, De Mattos Piccoli R, Caramori GF, Frenking G, Muñoz-Castro A. [2.2.2]Paracyclophane, preference for η6 or η18 coordination mode including Ag(I) and Sn(II): A survey into the cation-π interaction nature through relativistic DFT calculations Rsc Advances. 5: 7803-7811. DOI: 10.1039/C4Ra12859A  0.679
2015 Hadlington TJ, Li J, Hermann M, Davey A, Frenking G, Jones C. Reactivity of Amido-Digermynes, LGeGeL (L = Bulky Amide), toward Olefins and Related Molecules: Facile Reduction, C–H Activation, and Reversible Cycloaddition of Unsaturated Substrates Organometallics. 34: 3175-3185. DOI: 10.1021/Acs.Organomet.5B00206  0.345
2015 Holzmann N, Andrada DM, Frenking G. Bonding situation in silicon complexes [(L)2(Si2)] and [(L)2(Si)] with NHC and cAAC ligands Journal of Organometallic Chemistry. 792: 139-148. DOI: 10.1016/J.Jorganchem.2015.03.029  0.314
2015 Jerabek P, Frenking G. Erratum to: Comparative bonding analysis of N2 and P2 versus tetrahedral N4 and P4 Theoretical Chemistry Accounts. 134: 1-1. DOI: 10.1007/S00214-015-1742-3  0.3
2015 Clobes C, Jerabek P, Nußbruch I, Frenking G, Hänisch Cv. Stepwise Synthesis of Siloxane-Substituted Oligoarsanes and Structural Investigation of Alkaline Earth Metal Derivatives European Journal of Inorganic Chemistry. 2015: 3264-3273. DOI: 10.1002/Ejic.201500279  0.334
2015 Roy S, Mondal KC, Meyer J, Niepötter B, Köhler C, Herbst-Irmer R, Stalke D, Dittrich B, Andrada DM, Frenking G, Roesky HW. Inside Cover: Synthesis, Characterization, and Theoretical Investigation of Two-Coordinate Palladium(0) and Platinum(0) Complexes Utilizing π-Accepting Carbenes (Chem. Eur. J. 26/2015) Chemistry - a European Journal. 21: 9266-9266. DOI: 10.1002/Chem.201590113  0.339
2014 Jerabek P, Roesky HW, Bertrand G, Frenking G. Coinage metals binding as main group elements: structure and bonding of the carbene complexes [TM(cAAC)2] and [TM(cAAC)2](+) (TM = Cu, Ag, Au). Journal of the American Chemical Society. 136: 17123-35. PMID 25394669 DOI: 10.1021/Ja508887S  0.453
2014 Molon M, Gemel C, Jerabek P, Trombach L, Frenking G, Fischer RA. Hume-Rothery phase-inspired metal-rich molecules: cluster expansion of [Ni(ZnMe)₆(ZnCp*)₂] by face capping with Ni⁰(η⁶-toluene) and Ni(I)(η⁵-Cp*). Inorganic Chemistry. 53: 10403-11. PMID 25244516 DOI: 10.1021/Ic5014335  0.355
2014 Jaufeerally NB, Ramasami P, Jerabek P, Frenking G. Bonding analysis of telluroketones H₂A = Te (A = C, Si, Ge). Journal of Molecular Modeling. 20: 2433. PMID 25241160 DOI: 10.1007/S00894-014-2433-Z  0.415
2014 Caramori GF, Garcia LC, Andrada DM, Frenking G. Ruthenium(II) complexes of N-heterocyclic carbenes derived from imidazolium-linked cyclophanes. Dalton Transactions (Cambridge, England : 2003). 43: 14710-9. PMID 25144142 DOI: 10.1039/C4Dt01473A  0.675
2014 Davydova EI, Frenking G, Timoshkin AY. Competitive reaction pathways for the gas-phase reactivity of [Me2 AlNH2 ]3. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 2774-9. PMID 24976567 DOI: 10.1002/Cphc.201402230  0.351
2014 Frenking G, Tonner R, Klein S, Takagi N, Shimizu T, Krapp A, Pandey KK, Parameswaran P. New bonding modes of carbon and heavier group 14 atoms Si-Pb. Chemical Society Reviews. 43: 5106-39. PMID 24916774 DOI: 10.1039/C4Cs00073K  0.676
2014 Mondal KC, Samuel PP, Roesky HW, Aysin RR, Leites LA, Neudeck S, Lübben J, Dittrich B, Holzmann N, Hermann M, Frenking G. One-electron-mediated rearrangements of 2,3-disiladicarbene. Journal of the American Chemical Society. 136: 8919-22. PMID 24911357 DOI: 10.1021/Ja504821U  0.401
2014 Xu J, Ding YH, Andrada DM, Frenking G. Silavinylidene stabilized by an N-heterocyclic carbene: a theoretically predicted stable molecule. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 9216-20. PMID 24899112 DOI: 10.1002/Chem.201403252  0.428
2014 Frenking G. Dative bonds in main-group compounds: a case for more arrows! Angewandte Chemie (International Ed. in English). 53: 6040-6. PMID 24849466 DOI: 10.1002/Anie.201311022  0.341
2014 Hermann M, Jones C, Frenking G. Reaction mechanisms of small-molecule activation by amidoditetrylynes R(2)N-EE-NR(2) (E = Si, Ge, Sn). Inorganic Chemistry. 53: 6482-90. PMID 24796260 DOI: 10.1021/Ic500457Q  0.371
2014 Weinberger DS, Amin Sk N, Mondal KC, Melaimi M, Bertrand G, Stückl AC, Roesky HW, Dittrich B, Demeshko S, Schwederski B, Kaim W, Jerabek P, Frenking G. Isolation of neutral mononuclear copper complexes stabilized by two cyclic (alkyl)(amino)carbenes. Journal of the American Chemical Society. 136: 6235-8. PMID 24731250 DOI: 10.1021/Ja502521B  0.332
2014 Puls A, Jerabek P, Kurashige W, Förster M, Molon M, Bollermann T, Winter M, Gemel C, Negishi Y, Frenking G, Fischer RA. A novel concept for the synthesis of multiply doped gold clusters [(M@Au(n)M'(m))L(k)](q+). Angewandte Chemie (International Ed. in English). 53: 4327-31. PMID 24700545 DOI: 10.1002/Anie.201310436  0.312
2014 Li Y, Zhu H, Andrada DM, Frenking G, Roesky HW. Aminosilanetrithiol RSi(SH)(3): an experimental and quantum-chemical study. Chemical Communications (Cambridge, England). 50: 4628-30. PMID 24668031 DOI: 10.1039/C4Cc00912F  0.318
2014 Dielmann F, Andrada DM, Frenking G, Bertrand G. Isolation of bridging and terminal coinage metal-nitrene complexes. Journal of the American Chemical Society. 136: 3800-2. PMID 24559041 DOI: 10.1021/Ja5007355  0.379
2014 Ivanov AS, Boldyrev AI, Frenking G. Inorganic double-helix nanotoroid of simple lithium-phosphorus species. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 2431-5. PMID 24488764 DOI: 10.1002/Chem.201304566  0.331
2014 Niepötter B, Herbst-Irmer R, Kratzert D, Samuel PP, Mondal KC, Roesky HW, Jerabek P, Frenking G, Stalke D. Experimental charge density study of a silylone. Angewandte Chemie (International Ed. in English). 53: 2766-70. PMID 24481811 DOI: 10.1002/Anie.201308609  0.401
2014 Ivanov AS, Frenking G, Boldyrev AI. Stabilization of a Cl(-)-Cl(-) anion pair in the gas phase: ab initio microsolvation study. The Journal of Physical Chemistry. A. 118: 7375-84. PMID 24471443 DOI: 10.1021/Jp4123997  0.328
2014 Mondal KC, Samuel PP, Roesky HW, Carl E, Herbst-Irmer R, Stalke D, Schwederski B, Kaim W, Ungur L, Chibotaru LF, Hermann M, Frenking G. Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes. Journal of the American Chemical Society. 136: 1770-3. PMID 24437683 DOI: 10.1021/Ja4123285  0.435
2014 Holzmann N, Frenking G. Analysis of the E–E Bond in Group-13 Complexes [(PMe3)2(E2Hn)] (E = B – In, n = 4, 2, 0) Croatica Chemica Acta. 87: 413-422. DOI: 10.5562/Cca2489  0.355
2014 Holzmann N, Frenking G. Bonding Situation in Dimeric Group 15 Complexes [(NHC)2(E2)] (E = N–Bi) Zeitschrift FüR Naturforschung A. 69: 385-395. DOI: 10.5560/Zna.2014-0033  0.42
2014 Davydova EI, Timoshkin AY, Frenking G. Structure and stability of molecular and ionic complexes of AlCl3 with pyrazine and 4,4′-bipyridyl Journal of Structural Chemistry. 55: 15-22. DOI: 10.1134/S002247661401003X  0.389
2014 Caramori GF, Garcia LC, Andrada DM, Frenking G. Ruthenophanes: Evaluating Cation−π Interactions in [Ru(η6-C16H12R4)(NH3)3]2+/3+Complexes. A Computational Insight Organometallics. 33: 2301-2312. DOI: 10.1021/Om500203U  0.651
2014 Hilt G, Janikowski J, Schwarzer M, Burghaus O, Sakow D, Bröring M, Drüschler M, Huber B, Roling B, Harms K, Frenking G. Studies of electronic effects of modified pyridine-imine ligands utilized in cobalt-catalyzed meta-selective Diels-Alder reactions Journal of Organometallic Chemistry. 749: 219-223. DOI: 10.1016/J.Jorganchem.2013.09.020  0.355
2014 Jerabek P, Frenking G. Comparative bonding analysis of N2 and P2 versus tetrahedral N4 and P4 Theoretical Chemistry Accounts. 133: 1447. DOI: 10.1007/S00214-014-1447-Z  0.393
2013 Celik MA, Frenking G, Neumüller B, Petz W. Exploiting the Twofold Donor Ability of Carbodiphosphoranes: Theoretical Studies of [(PPh ) C→EH ] (E =Be, B , C , N , O ) and Synthesis of the Dication [(Ph P) CCH ]. Chempluschem. 78: 1024-1032. PMID 31986749 DOI: 10.1002/Cplu.201300169  0.484
2013 Mondal KC, Roesky HW, Dittrich B, Holzmann N, Hermann M, Frenking G, Meents A. Formation of a 1,4-diamino-2,3-disila-1,3-butadiene derivative. Journal of the American Chemical Society. 135: 15990-3. PMID 24134747 DOI: 10.1021/Ja4072139  0.348
2013 Barua SR, Allen WD, Kraka E, Jerabek P, Sure R, Frenking G. Nearly degenerate isomers of C(BH)2: cumulene, carbene, or carbone? Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 15941-54. PMID 24123325 DOI: 10.1002/Chem.201302181  0.606
2013 Samuel PP, Mondal KC, Roesky HW, Hermann M, Frenking G, Demeshko S, Meyer F, Stückl AC, Christian JH, Dalal NS, Ungur L, Chibotaru LF, Pröpper K, Meents A, Dittrich B. Synthesis and characterization of a two-coordinate manganese complex and its reaction with molecular hydrogen at room temperature. Angewandte Chemie (International Ed. in English). 52: 11817-21. PMID 24038991 DOI: 10.1002/Anie.201304642  0.335
2013 Holthausen MH, Surmiak SK, Jerabek P, Frenking G, Weigand JJ. [3+2] Fragmentation of an [RP(5)Cl](+) cage cation induced by an N-heterocyclic carbene. Angewandte Chemie (International Ed. in English). 52: 11078-82. PMID 24038818 DOI: 10.1002/Anie.201302914  0.324
2013 Ghadwal RS, Reichmann SO, Engelhardt F, Andrada DM, Frenking G. Facile access to silyl-functionalized N-heterocyclic olefins with HSiCl3. Chemical Communications (Cambridge, England). 49: 9440-2. PMID 24005446 DOI: 10.1039/C3Cc45652H  0.351
2013 Broeckaert L, Frenking G, Geerlings P, De Proft F. Reactivity of dicoordinated stannylones (Sn0) versus stannylenes (SnII): an investigation using DFT-based reactivity indices. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 3233-47. PMID 23946256 DOI: 10.1002/Cphc.201300596  0.374
2013 Hadlington TJ, Hermann M, Li J, Frenking G, Jones C. Activation of H2 by a multiply bonded amido-digermyne: evidence for the formation of a hydrido-germylene. Angewandte Chemie (International Ed. in English). 52: 10199-203. PMID 23939986 DOI: 10.1002/Anie.201305689  0.333
2013 El-Hamdi M, Solà M, Frenking G, Poater J. Comparison between alkalimetal and group 11 transition metal halide and hydride tetramers: molecular structure and bonding. The Journal of Physical Chemistry. A. 117: 8026-34. PMID 23879264 DOI: 10.1021/Jp4051403  0.371
2013 Weinberger DS, Melaimi M, Moore CE, Rheingold AL, Frenking G, Jerabek P, Bertrand G. Isolation of neutral mono- and dinuclear gold complexes of cyclic (alkyl)(amino)carbenes. Angewandte Chemie (International Ed. in English). 52: 8964-7. PMID 23861304 DOI: 10.1002/Anie.201304820  0.301
2013 Esterhuysen C, Frenking G. Complexation behavior of two-coordinated carbon compounds containing fluorenyl ligands. Dalton Transactions (Cambridge, England : 2003). 42: 13349-56. PMID 23732237 DOI: 10.1039/C3Dt32872D  0.465
2013 Molon M, Gemel C, Seidel RW, Jerabek P, Frenking G, Fischer RA. The organozinc rich compounds [Cp*M(ZnR)5] (M = Fe, Ru; R = Cp*, Me, Cl, Br). Inorganic Chemistry. 52: 7152-60. PMID 23701675 DOI: 10.1021/Ic400741B  0.367
2013 Frenking G, Hermann M. Critical comments on "One molecule, two atoms, three views, four bonds?". Angewandte Chemie (International Ed. in English). 52: 5922-5. PMID 23629763 DOI: 10.1002/Anie.201301485  0.359
2013 Singh AP, Samuel PP, Roesky HW, Schwarzer MC, Frenking G, Sidhu NS, Dittrich B. A singlet biradicaloid zinc compound and its nonradical counterpart. Journal of the American Chemical Society. 135: 7324-9. PMID 23600486 DOI: 10.1021/Ja402351X  0.365
2013 Ito Y, Lee VY, Gornitzka H, Goedecke C, Frenking G, Sekiguchi A. Spirobis(pentagerma[1.1.1]propellane): a stable tetraradicaloid. Journal of the American Chemical Society. 135: 6770-3. PMID 23594370 DOI: 10.1021/Ja401650Q  0.341
2013 Couchman SA, Holzmann N, Frenking G, Wilson DJ, Dutton JL. Beryllium chemistry the safe way: a theoretical evaluation of low oxidation state beryllium compounds. Dalton Transactions (Cambridge, England : 2003). 42: 11375-84. PMID 23572069 DOI: 10.1039/C3Dt50563D  0.301
2013 Holzmann N, Stasch A, Jones C, Frenking G. Comparative study of phosphine and N-heterocyclic carbene stabilized Group 13 adducts [L(EH3)] and [L2(E2H(n))]. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 6467-79. PMID 23512819 DOI: 10.1002/Chem.201203679  0.356
2013 Jangid RK, Sogani N, Gupta N, Bansal RK, Hopffgarten Mv, Frenking G. Asymmetric Diels–Alder reaction with >C=P– functionality of the 2-phosphaindolizine-η1-P-aluminium(O-menthoxy) dichloride complex: experimental and theoretical results Beilstein Journal of Organic Chemistry. 9: 392-400. PMID 23504589 DOI: 10.3762/Bjoc.9.40  0.31
2013 Holzmann N, Dange D, Jones C, Frenking G. Dinitrogen as double Lewis acid: structure and bonding of triphenylphosphinazine N2(PPh3)2. Angewandte Chemie (International Ed. in English). 52: 3004-8. PMID 23381959 DOI: 10.1002/Anie.201206305  0.355
2013 Celik MA, Dash C, Adiraju VA, Das A, Yousufuddin M, Frenking G, Dias HV. End-on and side-on π-acid ligand adducts of gold(I): carbonyl, cyanide, isocyanide, and cyclooctyne gold(I) complexes supported by N-heterocyclic carbenes and phosphines. Inorganic Chemistry. 52: 729-42. PMID 23273108 DOI: 10.1021/Ic301869V  0.363
2013 Doddi A, Gemel C, Winter M, Fischer RA, Goedecke C, Rzepa HS, Frenking G. Low-valent Ge(2) and Ge(4) species trapped by N-heterocyclic gallylene. Angewandte Chemie (International Ed. in English). 52: 450-4. PMID 23169591 DOI: 10.1002/Anie.201204440  0.33
2013 Nguyen TAN, Frenking G. Structure and bonding of tetrylone complexes [(CO)4W{E(PPh3)2}] (E = C–Pb) Molecular Physics. 111: 2640-2646. DOI: 10.1080/00268976.2013.813593  0.443
2013 Mattheis C, Wang H, Schwarzer MC, Frenking G, Agarwal S. Exploring suitable oligoamines for phantom ring-closing condensation polymerization with guanidine hydrochloride Polymer Chemistry. 4: 707-716. DOI: 10.1039/C2Py20672B  0.305
2013 Hermann M, Goedecke C, Jones C, Frenking G. Reaction Pathways for Addition of H2 to Amido-Ditetrylynes R2N–EE–NR2 (E = Si, Ge, Sn). A Theoretical Study Organometallics. 32: 6666-6673. DOI: 10.1021/Om4007888  0.369
2013 Das A, Dash C, Celik MA, Yousufuddin M, Frenking G, Dias HVR. Tris(alkyne) and Bis(alkyne) Complexes of Coinage Metals: Synthesis and Characterization of (cyclooctyne)3M+(M = Cu, Ag) and (cyclooctyne)2Au+and Coinage Metal (M = Cu, Ag, Au) Family Group Trends Organometallics. 32: 3135-3144. DOI: 10.1021/Om400073A  0.333
2013 Mousavi M, Frenking G. Bonding Analysis of the Trimethylenemethane (TMM) Complexes [(η6-C6H6)M-TMM] (M = Fe, Ru, Os), [(η5-C5H5)M-TMM] (M = Co, Rh, Ir), and [(η4-C4H4)M-TMM] (M = Ni, Pd, Pt) Organometallics. 32: 1743-1751. DOI: 10.1021/Om301163W  0.369
2013 Suresh CH, Frenking G. 1,3-Metal-carbon bonding predicts rich chemistry at the edges of aromatic hydrocarbons Organometallics. 32: 1531-1536. DOI: 10.1021/Om301037A  0.437
2013 Mousavi M, Frenking G. Bonding analysis of trimethylenemethane (TMM) complexes [(CO)3M–TMM] (M = Fe, Ru, Os, Rh+). Absence of expected bond paths Journal of Organometallic Chemistry. 748: 2-7. DOI: 10.1016/J.Jorganchem.2013.03.047  0.424
2013 Jerabek P, Frenking G. Structures and energies of C4S4q (q = +1, 0, −1) isomers. A theoretical study International Journal of Mass Spectrometry. 354: 342-345. DOI: 10.1016/J.Ijms.2013.06.030  0.301
2013 Gámez JA, Hermann M, Frenking G. Structures and Bonding Situation of the Allyl Systems and Cyclic Isomers [H2E–E(H)–EH2]–,·,+ (E = C, Si, Ge, Sn) †‡ Zeitschrift FüR Anorganische Und Allgemeine Chemie. 639: 2493-2501. DOI: 10.1002/Zaac.201300473  0.407
2013 Safi ZS, Frenking G. Protonation of 5‐methylhydantoin and its thio derivatives in the gas phase: A theoretical study International Journal of Quantum Chemistry. 113: 908-915. DOI: 10.1002/Qua.24017  0.353
2013 Barua SR, Allen WD, Kraka E, Jerabek P, Sure R, Frenking G. Nearly degenerate isomers of C(BH)2: Cumulene, carbene, or carbone? Chemistry - a European Journal. 19: 15941-15954. DOI: 10.1002/chem.201302181  0.492
2012 Goedecke C, Sitt R, Frenking G. Spacer separated donor-acceptor complexes [D→C6F4→BF3] (D = Xe, CO, N2) and the dication [Xe→C6F4←Xe]2+. A theoretical study. Inorganic Chemistry. 51: 11259-11265. PMID 23066811 DOI: 10.1021/Ic301722Q  0.409
2012 Dielmann F, Back O, Henry-Ellinger M, Jerabek P, Frenking G, Bertrand G. A crystalline singlet phosphinonitrene: a nitrogen atom-transfer agent. Science (New York, N.Y.). 337: 1526-8. PMID 22997335 DOI: 10.1126/Science.1226022  0.372
2012 Nguyen TAN, Frenking G. Transition-metal complexes of tetrylones [(CO)5W-E(PPh3)2] and tetrylenes [(CO)5W-NHE] (E=C-Pb): a theoretical study. Chemistry: a European Journal. 18: 12733-12748. PMID 22945375 DOI: 10.1002/Chem.201200741  0.397
2012 Jones C, Sidiropoulos A, Holzmann N, Frenking G, Stasch A. An N-heterocyclic carbene adduct of diatomic tin, :Sn=Sn:. Chemical Communications (Cambridge, England). 48: 9855-7. PMID 22933046 DOI: 10.1039/C2Cc35228A  0.411
2012 Chen LA, Ma J, Celik MA, Yu HL, Cao Z, Frenking G, Gong L, Meggers E. Active versus passive substituent participation in the auxiliary-mediated asymmetric synthesis of an octahedral metal complex. Chemistry, An Asian Journal. 7: 2523-6. PMID 22915359 DOI: 10.1002/Asia.201200532  0.311
2012 Li J, Hermann M, Frenking G, Jones C. The facile reduction of carbon dioxide to carbon monoxide with an amido-digermyne. Angewandte Chemie (International Ed. in English). 51: 8611-4. PMID 22807094 DOI: 10.1002/Anie.201203607  0.34
2012 Ghadwal RS, Azhakar R, Roesky HW, Pröpper K, Dittrich B, Goedecke C, Frenking G. Donor-acceptor stabilized silaformyl chloride. Chemical Communications (Cambridge, England). 48: 8186-8. PMID 22786582 DOI: 10.1039/C2Cc32887A  0.347
2012 Frenking G, Holzmann N. A Boron-Boron Triple Bond Science. 336: 1394-1395. PMID 22700911 DOI: 10.1126/Science.1224003  0.411
2012 Fernández I, Frenking G. Neutral noble gas compounds exhibiting a Xe-Xe bond: structure, stability and bonding situation. Physical Chemistry Chemical Physics : Pccp. 14: 14869-77. PMID 22699392 DOI: 10.1039/C2Cp41244F  0.6
2012 Caramori GF, Kunitz AG, Andriani KF, Doro FG, Frenking G, Tfouni E. The nature of Ru-NO bonds in ruthenium tetraazamacrocycle nitrosyl complexes--a computational study. Dalton Transactions (Cambridge, England : 2003). 41: 7327-39. PMID 22580477 DOI: 10.1039/C2Dt12094A  0.674
2012 Devarajan D, Frenking G. Are they linear, bent, or cyclic? Quantum chemical investigation of the heavier group 14 and group 15 homologues of HCN and HNC. Chemistry-An Asian Journal. 7: 1296-1311. PMID 22504965 DOI: 10.1002/Asia.201200022  0.379
2012 Celik MA, Sure R, Klein S, Kinjo R, Bertrand G, Frenking G. Borylene complexes (BH)L2 and nitrogen cation complexes (N+)L2: isoelectronic homologues of carbones CL2. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 5676-92. PMID 22434609 DOI: 10.1002/Chem.201103965  0.384
2012 Bollermann T, Molon M, Gemel C, Freitag K, Seidel RW, von Hopffgarten M, Jerabek P, Frenking G, Fischer RA. Oligonuclear molecular models of intermetallic phases: a case study on [Pd2Zn6Ga2(Cp*)5(CH3)3]. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 4909-15. PMID 22416016 DOI: 10.1002/Chem.201102758  0.355
2012 Das A, Dash C, Yousufuddin M, Celik MA, Frenking G, Dias HV. Isolable tris(alkyne) and bis(alkyne) complexes of gold(I). Angewandte Chemie (International Ed. in English). 51: 3940-3. PMID 22389258 DOI: 10.1002/Anie.201200080  0.348
2012 Takagi N, Tonner R, Frenking G. Carbodiphosphorane analogues E(PPh3)2 with E=C-Pb: a theoretical study with implications for ligand design. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 1772-80. PMID 22238129 DOI: 10.1002/Chem.201100494  0.641
2012 Mück LA, Timoshkin AY, Frenking G. Design of Neutral Lewis Superacids of Group 13 Elements Inorganic Chemistry. 51: 640-646. PMID 22168307 DOI: 10.1021/Ic202152H  0.367
2012 Suresh CH, Frenking G. 1,3-metal-carbon bonding and alkyne metathesis: DFT investigations on model complexes of group 4, 5, and 6 transition metals Organometallics. 31: 7171-7180. DOI: 10.1021/Om3007097  0.432
2012 Flener Lovitt C, Frenking G, Girolami GS. Donor-acceptor properties of bidentate phosphines. DFT study of nickel carbonyls and molecular dihydrogen complexes Organometallics. 31: 4122-4132. DOI: 10.1021/Om200456J  0.394
2012 Bayat M, Salehzadeh S, Frenking G. Energy decomposition analysis of the metal-imine bond in [(CO)4M–SB] (M = Cr, Mo, W; SB: RHCN–CH2CH2–NCHR) Journal of Organometallic Chemistry. 697: 74-79. DOI: 10.1016/J.Jorganchem.2011.10.024  0.427
2012 Zhao L, Hopffgarten Mv, Andrada DM, Frenking G. Energy decomposition analysis Wiley Interdisciplinary Reviews: Computational Molecular Science. 2: 43-62. DOI: 10.1002/Wcms.71  0.509
2011 Holzmann N, Stasch A, Jones C, Frenking G. Structures and stabilities of group 13 adducts [(NHC)(EX3)] and [(NHC)2(E2X(n))] (E=B to In; X=H, Cl; n=4, 2, 0; NHC=N-heterocyclic carbene) and the search for hydrogen storage systems: a theoretical study. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 13517-25. PMID 22038936 DOI: 10.1002/Chem.201101915  0.391
2011 Li J, Schenk C, Goedecke C, Frenking G, Jones C. A digermyne with a Ge-Ge single bond that activates dihydrogen in the solid state. Journal of the American Chemical Society. 133: 18622-5. PMID 22026634 DOI: 10.1021/Ja209215A  0.4
2011 Ghadwal RS, Azhakar R, Roesky HW, Pröpper K, Dittrich B, Klein S, Frenking G. Donor-acceptor-stabilized silicon analogue of an acid anhydride. Journal of the American Chemical Society. 133: 17552-5. PMID 21999232 DOI: 10.1021/Ja206702E  0.313
2011 Bollermann T, Freitag K, Gemel C, Molon M, Seidel RW, von Hopffgarten M, Jerabek P, Frenking G, Fischer RA. The rich chemistry of [Zn2Cp*2]: trapping three different types of zinc ligands in the PdZn7 complex [Pd(ZnCp*)4(ZnMe)2{Zn(tmeda)}]. Inorganic Chemistry. 50: 10486-92. PMID 21928774 DOI: 10.1021/Ic201701R  0.398
2011 Hopffgarten Mv, Frenking G. Building a bridge between coordination compounds and clusters: bonding analysis of the icosahedral molecules [M(ER)12] (M = Cr, Mo, W; E = Zn, Cd, Hg). Journal of Physical Chemistry A. 115: 12758-12768. PMID 21827159 DOI: 10.1021/Jp2038762  0.4
2011 Kinjo R, Donnadieu B, Celik MA, Frenking G, Bertrand G. Synthesis and characterization of a neutral tricoordinate organoboron isoelectronic with amines. Science (New York, N.Y.). 333: 610-3. PMID 21798945 DOI: 10.1126/Science.1207573  0.354
2011 Avramopoulos A, Li J, Holzmann N, Frenking G, Papadopoulos MG. On the stability, electronic structure, and nonlinear optical properties of HXeOXeF and FXeOXeF. Journal of Physical Chemistry A. 115: 10226-10236. PMID 21793516 DOI: 10.1021/Jp203961K  0.354
2011 Esterhuysen C, Frenking G. Distinguishing carbones from allenes by complexation to AuCl Chemistry: a European Journal. 17: 9944-9956. PMID 21786353 DOI: 10.1002/Chem.201101213  0.42
2011 Molon M, Gemel C, von Hopffgarten M, Frenking G, Fischer RA. Molecular Hume-Rothery compounds [M(ZnR)n] and [M(ZnR)a(GaR)b] (a + 2b = n ≥ 8): relations of coordination polyhedra and electronic structure. Inorganic Chemistry. 50: 12296-302. PMID 21749048 DOI: 10.1021/Ic200800E  0.39
2011 Tonner R, Frenking G, Lein M, Schwerdtfeger P. Packed to the rafters: filling up C60 with rare gas atoms. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 2081-4. PMID 21656638 DOI: 10.1002/Cphc.201100360  0.674
2011 Bouffard J, Keitz BK, Tonner R, Lavallo V, Guisado-Barrios G, Frenking G, Grubbs RH, Bertrand G. Synthesis of Highly Stable 1,3-Diaryl-1H-1,2,3-triazol-5-ylidenes and their Applications in Ruthenium-Catalyzed Olefin Metathesis. Organometallics. 30: 2617-2627. PMID 21572542 DOI: 10.1021/Om200272M  0.61
2011 Jones C, Bonyhady SJ, Holzmann N, Frenking G, Stasch A. Preparation, characterization, and theoretical analysis of group 14 element(I) dimers: a case study of magnesium(I) compounds as reducing agents in inorganic synthesis. Inorganic Chemistry. 50: 12315-25. PMID 21548564 DOI: 10.1021/Ic200682P  0.391
2011 Dias HV, Dash C, Yousufuddin M, Celik MA, Frenking G. Cationic gold carbonyl complex on a phosphine support. Inorganic Chemistry. 50: 4253-5. PMID 21506576 DOI: 10.1021/Ic200757J  0.412
2011 Feng L, Geisselbrecht Y, Blanck S, Wilbuer A, Atilla-Gokcumen GE, Filippakopoulos P, Kräling K, Celik MA, Harms K, Maksimoska J, Marmorstein R, Frenking G, Knapp S, Essen LO, Meggers E. Structurally sophisticated octahedral metal complexes as highly selective protein kinase inhibitors. Journal of the American Chemical Society. 133: 5976-86. PMID 21446733 DOI: 10.1021/Ja1112996  0.312
2011 Kraus PM, Schwarzer MC, Schirmel N, Urbasch G, Frenking G, Weitzel KM. Unusual mechanism for H3(+) formation from ethane as obtained by femtosecond laser pulse ionization and quantum chemical calculations. The Journal of Chemical Physics. 134: 114302. PMID 21428614 DOI: 10.1063/1.3561311  0.328
2011 Goedecke C, Leibold M, Siemeling U, Frenking G. When does carbonylation of carbenes yield ketenes? A theoretical study with implications for synthesis. Journal of the American Chemical Society. 133: 3557-69. PMID 21332207 DOI: 10.1021/Ja109812R  0.443
2011 Filimonov VD, Poleshchuk OKh, Krasnokutskaya EA, Frenking G. DFT investigation of the thermodynamics and mechanism of electrophilic chlorination and iodination of arenes. Journal of Molecular Modeling. 17: 2759-71. PMID 21279527 DOI: 10.1007/S00894-011-0964-0  0.388
2011 Lin Z, Gong L, Celik MA, Harms K, Frenking G, Meggers E. Asymmetric coordination chemistry by chiral-auxiliary-mediated dynamic resolution under thermodynamic control. Chemistry, An Asian Journal. 6: 474-81. PMID 21254425 DOI: 10.1002/Asia.201000555  0.307
2011 Fernández I, Duvall M, I-Chia Wu J, Schleyer Pv, Frenking G. Aromaticity in Group 14 homologues of the cyclopropenylium cation. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 2215-24. PMID 21254263 DOI: 10.1002/Chem.201001392  0.587
2011 Takagi N, Krapp A, Frenking G. Bonding analysis of metal-metal multiple bonds in R3M-M'R3 (M, M' = Cr, Mo, W; R = Cl, NMe2). Inorganic Chemistry. 50: 819-826. PMID 21210644 DOI: 10.1021/Ic101227U  0.428
2011 Braunschweig H, Ye Q, Radacki K, Brenner P, Frenking G, De S. Borylene-based functionalization of iron-alkynyl-σ-complexes and stepwise reversible metal-boryl-to-borirene transformation: synthesis, characterization, and density functional theory studies. Inorganic Chemistry. 50: 62-71. PMID 20712372 DOI: 10.1021/Ic1010874  0.362
2011 Senthilnathan D, Vaideeswaran S, Venuvanalingam P, Frenking G. Antitumor activity of bent metallocenes: electronic structure analysis using DFT computations. Journal of Molecular Modeling. 17: 465-475. PMID 20495841 DOI: 10.1007/S00894-010-0734-4  0.386
2011 Fernández I, Frenking G. Direct Estimate of Aromaticity with the Energy Decomposition Analysis The Open Organic Chemistry Journal. 5: 79-86. DOI: 10.2174/1874364101105010079  0.519
2011 Back O, Donnadieu B, von Hopffgarten M, Klein S, Tonner R, Frenking G, Bertrand G. N-Heterocyclic carbenes versus transition metals for stabilizing phosphinyl radicals Chemical Science. 2: 858-861. DOI: 10.1039/C1Sc00027F  0.607
2011 Gong L, Müller C, Celik MA, Frenking G, Meggers E. 2-Diphenylphosphino-2′-hydroxy-1,1′-binaphthyl as a chiral auxiliary for asymmetric coordination chemistry New Journal of Chemistry. 35: 788. DOI: 10.1039/C0Nj00787K  0.323
2011 Petz W, Neumüller B, Klein S, Frenking G. Syntheses and Crystal Structures of [Hg{C(PPh3)2}2][Hg2I6] and [Cu{C(PPh3)2}2]I and Comparative Theoretical Study of Carbene Complexes [M(NHC)2] with Carbone Complexes [M{C(PH3)2}2] (M = Cu+, Ag+, Au+, Zn2+, Cd2+, Hg2+) Organometallics. 30: 3330-3339. DOI: 10.1021/Om200145C  0.302
2011 Jangid RK, Gupta N, Bansal RK, Hopffgarten Mv, Frenking G. Diels–Alder reaction of 2-phosphaindolizines catalysed by organoaluminium reagent: theoretical and experimental results Tetrahedron Letters. 52: 1721-1724. DOI: 10.1016/J.Tetlet.2011.02.007  0.325
2011 Bayat M, Hopffgarten Mv, Salehzadeh S, Frenking G. Energy decomposition analysis of the metal–oxime bond in [M{RC(NOH)C(NO)R}2] (M = Ni(II), Pd(II), Pt(II), R = CH3, H, F, Cl, Br, Ph, CF3) Journal of Organometallic Chemistry. 696: 2976-2984. DOI: 10.1016/J.Jorganchem.2011.05.009  0.416
2011 Shimizu T, Frenking G. Structures and bonding situation of Pb2X2 (X = H, F, Cl, Br and I) Theoretical Chemistry Accounts. 130: 269-277. DOI: 10.1007/S00214-011-0974-0  0.419
2011 Takagi N, Frenking G. Divalent Pb(0) compounds Theoretical Chemistry Accounts. 129: 615-623. DOI: 10.1007/S00214-011-0909-9  0.367
2011 Petz W, Dehnicke K, Holzmann N, Frenking G, Neumüller B. The reaction of BeCl2 with carbodiphosphorane C(PPh 3)2; Experimental and theoretical studies Zeitschrift Fur Anorganische Und Allgemeine Chemie. 637: 1702-1710. DOI: 10.1002/Zaac.201100328  0.466
2011 Frenking G, Tonner R. Carbodicarbenes—divalent carbon(0) compounds exhibiting carbon–carbon donor–acceptor bonds Wiley Interdisciplinary Reviews: Computational Molecular Science. 1: 869-878. DOI: 10.1002/Wcms.53  0.668
2011 Gupta N, Bansal RK, Hopffgarten Mv, Frenking G. 1,5-electrocyclization versus 1,5-proton shift in imidazolium allylides and 2-phospha-allylides: a DFT investigation Journal of Physical Organic Chemistry. 24: 786-797. DOI: 10.1002/Poc.1829  0.335
2011 Klein S, Tonner R, Frenking G. Corrigendum: Carbodicarbenes and Related Divalent Carbon(0) Compounds Chemistry: a European Journal. 17: 12536-12536. DOI: 10.1002/Chem.201190228  0.571
2010 Wang Y, Fernández I, Duvall M, Wu JI, Li Q, Frenking G, Schleyer Pv. Consistent aromaticity evaluations of methylenecyclopropene analogues. The Journal of Organic Chemistry. 75: 8252-7. PMID 21047086 DOI: 10.1021/Jo1020097  0.532
2010 Bollermann T, Cadenbach T, Gemel C, von Hopffgarten M, Frenking G, Fischer RA. Molecular alloys: experimental and theoretical investigations on the substitution of zinc by cadmium and mercury in the homologous series [Mo(M'R)12] and [M(M'R)8] (M=Pd, Pt; M'=Zn, Cd, Hg). Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 13372-84. PMID 20938940 DOI: 10.1002/Chem.201001650  0.368
2010 Bonyhady SJ, Collis D, Frenking G, Holzmann N, Jones C, Stasch A. Synthesis of a stable adduct of dialane(4) (Al2H4) via hydrogenation of a magnesium(I) dimer. Nature Chemistry. 2: 865-9. PMID 20861903 DOI: 10.1038/Nchem.762  0.382
2010 Gong L, Mulcahy SP, Devarajan D, Harms K, Frenking G, Meggers E. Chiral salicyloxazolines as auxiliaries for the asymmetric synthesis of ruthenium polypyridyl complexes. Inorganic Chemistry. 49: 7692-9. PMID 20666500 DOI: 10.1021/Ic100229E  0.337
2010 Back O, Celik MA, Frenking G, Melaimi M, Donnadieu B, Bertrand G. A crystalline phosphinyl radical cation. Journal of the American Chemical Society. 132: 10262-3. PMID 20662507 DOI: 10.1021/Ja1046846  0.303
2010 Klein S, Tonner R, Frenking G. Carbodicarbenes and related divalent carbon(0) compounds. Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 10160-70. PMID 20645329 DOI: 10.1002/Chem.201000174  0.617
2010 Davydova EI, Timoshkin AY, Frenking G. Structure and stability of M6N8 clusters (M = Si, Ge, Sn, Ti). Journal of Physical Chemistry A. 114: 6408-6412. PMID 20465225 DOI: 10.1021/Jp911209W  0.307
2010 Back O, Donnadieu B, Parameswaran P, Frenking G, Bertrand G. Isolation of crystalline carbene-stabilized P(2)-radical cations and P(2)-dications. Nature Chemistry. 2: 369-73. PMID 20414236 DOI: 10.1038/Nchem.617  0.333
2010 Fernández I, Frenking G, Uggerud E. Rate-determining factors in nucleophilic aromatic substitution reactions. The Journal of Organic Chemistry. 75: 2971-80. PMID 20353177 DOI: 10.1021/Jo100195W  0.545
2010 Duarte FJS, Cabrita EJ, Frenking G, Santos AG. Asymmetric intramolecular aldol reactions of substituted 1,7-dicarbonylic compounds. A mechanistic study. Journal of Organic Chemistry. 75: 2546-2555. PMID 20307092 DOI: 10.1021/Jo100026H  0.337
2010 Parameswaran P, Frenking G. Chemical bonding in transition metal complexes with beryllium ligands [(PMe(3))(2)M-BeCl(2)], [(PMe(3))(2)M-BeClMe], and [(PMe(3))(2)M-BeMe(2)] (M = Ni, Pd, Pt). The Journal of Physical Chemistry. A. 114: 8529-35. PMID 20038110 DOI: 10.1021/Jp910181Q  0.419
2010 Takagi N, Krapp A, Frenking G. On the nature of homo- and hetero-dinuclear metal–metal quadruple bonds — Analysis of the bonding situation and benchmarking DFT against wave function methods Canadian Journal of Chemistry. 88: 1079-1093. DOI: 10.1139/V10-078  0.329
2010 Siemeling U, Färber C, Bruhn C, Leibold M, Selent D, Baumann W, Von Hopffgarten M, Goedecke C, Frenking G. N-heterocyclic carbenes which readily add ammonia, carbon monoxide and other small molecules Chemical Science. 1: 697-704. DOI: 10.1039/C0Sc00451K  0.385
2010 Rullich M, Tonner R, Frenking G. P-Heterocyclic carbenes as effective catalysts for the activation of single and multiple bonds. A theoretical study New Journal of Chemistry. 34: 1760-1773. DOI: 10.1039/C0Nj00208A  0.66
2010 Celik MA, Haunschild R, Frenking G. Quantum Chemical Study on Ethylene Addition to (O═)2Os(═NH)2 and (O═)2Os(═NH)-cyclo-(−NHCH2CH2HN−) as Model Complexes for the Osmium-Catalyzed Aminohydroxylation of Olefins Organometallics. 29: 1560-1568. DOI: 10.1021/Om900986B  0.314
2010 Gámez JA, Tonner R, Frenking G. Gallium Halides as Alternative Ligands to CO and N2 in Transition Metal Complexes: A Bonding Analysis† Organometallics. 29: 5676-5680. DOI: 10.1021/Om100584E  0.641
2010 Stander-Grobler E, Schuster O, Heydenrych G, Cronje S, Tosh E, Albrecht M, Frenking G, Raubenheimer HG. Pyridine-Derived N-Heterocyclic Carbenes: An Experimental and Theoretical Evaluation of the Bonding in and Reactivity of Selected Normal and Abnormal Complexes of Nickel(II) and Palladium(II) Organometallics. 29: 5821-5833. DOI: 10.1021/Om100431U  0.412
2010 Suresh CH, Frenking G. Direct 1-3 metal - Carbon bonding and planar tetracoordinated carbon in group 6 metallacyclobutadienes Organometallics. 29: 4766-4769. DOI: 10.1021/Om100260P  0.408
2010 Krapp A, Frenking G. Chemical bonding in “early-late” transition metal complexes [(H2N)3M-M′(CO)4] (M = Ti, Zr, Hf; M′ = Co, Rh, Ir) Theoretical Chemistry Accounts. 127: 141-148. DOI: 10.1007/S00214-009-0696-8  0.44
2010 Frenking G, Holzmann N, Neumüller B, Dehnicke K. [BeCl2(Ph2PCH2PPh2) 2] - A donor-acceptor complex of beryllium with the ligand bis(diphenylphosphanyl)methane | [BeCl2(Ph2PCH2PPh2) 2] - Ein donor-akzeptorkomplex des berylliums mit dem bis(diphenylphosphanyl)methan-liganden Zeitschrift Fur Anorganische Und Allgemeine Chemie. 636: 1772-1775. DOI: 10.1002/Zaac.201000172  0.417
2010 Fernández I, Frenking G, Uggerud E. Response to the Comment on “The Interplay between Steric and Electronic Effects in SN2 Reactions” Chemistry: a European Journal. 16: 5542-5543. DOI: 10.1002/Chem.200903569  0.472
2009 Neto AC, Ducati LC, Rittner R, Tormena CF, Contreras RH, Frenking G. Heavy Halogen Atom Effect on (13)C NMR Chemical Shifts in Monohalo Derivatives of Cyclohexane and Pyran. Experimental and Theoretical Study. Journal of Chemical Theory and Computation. 5: 2222-8. PMID 26616608 DOI: 10.1021/Ct800520W  0.719
2009 Aldeco-Perez E, Rosenthal AJ, Donnadieu B, Parameswaran P, Frenking G, Bertrand G. Isolation of a C5-deprotonated imidazolium, a crystalline "abnormal" N-heterocyclic carbene. Science (New York, N.Y.). 326: 556-9. PMID 19900893 DOI: 10.1126/Science.1178206  0.372
2009 Cadenbach T, Bollermann T, Gemel C, Tombul M, Fernandez I, von Hopffgarten M, Frenking G, Fischer RA. Molecular alloys, linking organometallics with intermetallic Hume-Rothery phases: the highly coordinated transition metal compounds [M(ZnR)(n)] (n >or= 8) containing organo-zinc ligands. Journal of the American Chemical Society. 131: 16063-77. PMID 19827777 DOI: 10.1021/Ja904061W  0.565
2009 Braunschweig H, Herbst T, Radacki K, Frenking G, Celik MA. Chemoselective boron-carbon bond cleavage by hydroboration of borirenes. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 12099-106. PMID 19780118 DOI: 10.1002/Chem.200901749  0.398
2009 Takagi N, Shimizu T, Frenking G. Divalent E(0) Compounds (E=Si–Sn) Chemistry: a European Journal. 15: 8593-8604. PMID 19655353 DOI: 10.1002/Chem.200901401  0.43
2009 Fernández I, Dyker CA, DeHope A, Donnadieu B, Frenking G, Bertrand G. Exocyclic delocalization at the expense of aromaticity in 3,5-bis(pi-donor) substituted pyrazolium ions and corresponding cyclic bent allenes. Journal of the American Chemical Society. 131: 11875-81. PMID 19645451 DOI: 10.1021/Ja903396E  0.512
2009 Parameswaran P, Frenking G. Transition-metal complexes [(PMe(3))(2)Cl(2)M(E)] and [(PMe(3))(2)(CO)(2)M(E)] with naked group 14 atoms (E=C-Sn) as ligands; part 2: complexation with W(CO)(5). Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 8817-24. PMID 19609990 DOI: 10.1002/Chem.200900792  0.41
2009 Parameswaran P, Frenking G. Transition-metal complexes [(PMe(3))(2)Cl(2)M(E)] and [(PMe(3))(2)(CO)(2)M(E)] with naked group 14 atoms (E=C-Sn) as ligands; part 1: parent compounds. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 8807-16. PMID 19609989 DOI: 10.1002/Chem.200900791  0.407
2009 Ducati LC, Takagi N, Frenking G. Molecules with all triple bonds: OCBBCO, N2BBN2, and [OBBBBO](2-). The Journal of Physical Chemistry. A. 113: 11693-8. PMID 19586003 DOI: 10.1021/Jp902780T  0.712
2009 Prabusankar G, Gemel C, Parameswaran P, Flener C, Frenking G, Fischer RA. A short Bi=Bi bond supported by a metalloid group 13 ligand. Angewandte Chemie (International Ed. in English). 48: 5526-9. PMID 19554586 DOI: 10.1002/Anie.200902172  0.367
2009 Braunschweig H, Herbst T, Rais D, Ghosh S, Kupfer T, Radacki K, Crawford AG, Ward RM, Marder TB, Fernández I, Frenking G. Borylene-based direct functionalization of organic substrates: synthesis, characterization, and photophysical properties of novel pi-conjugated borirenes. Journal of the American Chemical Society. 131: 8989-99. PMID 19480461 DOI: 10.1021/Ja902198Z  0.549
2009 Melaimi M, Parameswaran P, Donnadieu B, Frenking G, Bertrand G. Synthesis and ligand properties of a persistent, all-carbon four-membered-ring allene. Angewandte Chemie (International Ed. in English). 48: 4792-5. PMID 19472243 DOI: 10.1002/Anie.200901117  0.331
2009 Trinh C, Timoshkin AY, Frenking G. Aluminum-nitrogen rings and cages with organic handles: a theoretical study. The Journal of Physical Chemistry. A. 113: 3420-6. PMID 19338359 DOI: 10.1021/Jp805904E  0.386
2009 Mück LA, Timoshkin AY, Hopffgarten Mv, Frenking G. Donor acceptor complexes of noble gases. Journal of the American Chemical Society. 131: 3942-3949. PMID 19243179 DOI: 10.1021/Ja805990H  0.415
2009 Takagi N, Shimizu T, Frenking G. Divalent silicon(0) compounds. Chemistry: a European Journal. 15: 3448-3456. PMID 19229927 DOI: 10.1002/Chem.200802739  0.398
2009 Fernández I, Frenking G, Uggerud E. The interplay between steric and electronic effects in S(N)2 reactions. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 2166-75. PMID 19142945 DOI: 10.1002/Chem.200801833  0.579
2009 Jiménez-Halla CO, Fernández I, Frenking G. Is it possible to synthesize a neutral noble gas compound containing a Ng-Ng bond? A theoretical study of H-Ng-Ng-F (Ng = Ar, Kr, Xe). Angewandte Chemie (International Ed. in English). 48: 366-9. PMID 19053096 DOI: 10.1002/Anie.200803252  0.516
2009 Frenking G, Tonner R. Divalent carbon(0) compounds Pure and Applied Chemistry. 81: 597-614. DOI: 10.1351/Pac-Con-08-11-03  0.667
2009 Goedecke C, Hillebrecht P, Uhlemann T, Haunschild R, Frenking G. The Dewar–Chatt–Duncanson model reversed — Bonding analysis of group-10 complexes [(PMe3)2M–EX3] (M = Ni, Pd, Pt; E = B, Al, Ga, In, Tl; X = H, F, Cl, Br, I) Canadian Journal of Chemistry. 87: 1470-1479. DOI: 10.1139/V09-099  0.366
2009 Haunschild R, Frenking G. Tetrahedranes. A theoretical study of singlet E4H4 molecules (E = C-Pb and B-Tl) Molecular Physics. 107: 911-922. DOI: 10.1080/00268970802680505  0.369
2009 Davydova EI, Timoshkin AY, Sevastianova TN, Suvorov AV, Frenking G. Structures and stability of Cl–M–N–H rings and cages (M = Si, Ge, Sn, Ti) Molecular Physics. 107: 899-910. DOI: 10.1080/00268970802680489  0.326
2009 Tonner R, Frenking G. Tolman’s Electronic Parameters for Divalent Carbon(0) Compounds Organometallics. 28: 3901-3905. DOI: 10.1021/Om900206W  0.627
2009 Chen Y, Zhao L, Xu C, Liu Z, Frenking G. 13C and 19F NMR chemical shifts of the iron carbene complex (CO)4FeCF2 – A case study at DFT level Journal of Molecular Structure: Theochem. 905: 40-43. DOI: 10.1016/J.Theochem.2009.03.006  0.357
2009 Poleshchuk OK, Yureva AG, Filimonov VD, Frenking G. Study of a surface of the potential energy for processes of alkanes free-radical iodination by B3LYP/DGDZVP method Journal of Molecular Structure-Theochem. 912: 67-72. DOI: 10.1016/J.Theochem.2009.03.001  0.323
2009 Erhardt S, Frenking G. Bonding situation and stability of η1- and η6-bonded heteroarene complexes M(η1-EC5H5)6 and M(η6-EC5H5)2 (M = Cr, Mo, W; E = N, P, As, Sb, Bi)☆ Journal of Organometallic Chemistry. 694: 1091-1100. DOI: 10.1016/J.Jorganchem.2008.10.018  0.398
2009 Haunschild R, Tüllmann S, Frenking G, Holthausen MC. Ethylene addition to Ru(CH2)(O)3 – A theoretical study Journal of Organometallic Chemistry. 694: 1081-1090. DOI: 10.1016/J.Jorganchem.2008.10.017  0.335
2009 Siemeling U, Färber C, Leibold M, Bruhn C, Mücke P, Winter RF, Sarkar B, Von Hopffgarten M, Frenking G. Six-membered N-heterocyclic carbenes with a 1,1′-ferrocenediyl backbone: Bulky ligands with strong electron-donor capacity and unusual non-innocent character European Journal of Inorganic Chemistry. 4607-4612. DOI: 10.1002/Ejic.200900863  0.333
2009 Petz W, Öxler F, Neumüller B, Tonner R, Frenking G. Carbodiphosphorane C(PPh3)2 as a Single and Twofold Lewis Base with Boranes: Synthesis, Crystal Structures and Theoretical Studies on [H3B{C(PPh3)2}] and [{(μ-H)H4B2}{C(PPh3)2}]+ European Journal of Inorganic Chemistry. 2009: 4507-4517. DOI: 10.1002/Ejic.200900691  0.676
2009 Heydenrych G, Hopffgarten Mv, Stander E, Schuster O, Raubenheimer HG, Frenking G. The Nature of the Metal–Carbene Bond in Normal and Abnormal Pyridylidene, Quinolylidene and Isoquinolylidene Complexes European Journal of Inorganic Chemistry. 2009: 1892-1904. DOI: 10.1002/Ejic.200801244  0.453
2008 Krapp A, Frenking G. Carbon complexes as electronically and sterically tunable analogues of carbon monoxide in coordination chemistry. Journal of the American Chemical Society. 130: 16646-16658. PMID 19049460 DOI: 10.1021/Ja8047915  0.447
2008 Cadenbach T, Gemel C, Bollermann T, Fernandez I, Frenking G, Fischer RA. Organometallic chemistry of Ga(+): formation of an unusual gallium dimer in the coordination sphere of ruthenium. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 10789-96. PMID 18956398 DOI: 10.1002/Chem.200801328  0.54
2008 Hopffgarten Mv, Frenking G. Chemical Bonding in the Inclusion Complex of He in Adamantane, He@adam: Antithesis and Complement Chemistry: a European Journal. 14: 10227-10231. PMID 18942049 DOI: 10.1002/Chem.200801351  0.395
2008 Hahn FE, Zabula AV, Pape T, Hepp A, Tonner R, Haunschild R, Frenking G. pi-Bonding in complexes of benzannulated biscarbenes, -germylenes, and -stannylenes: an experimental and theoretical study. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 10716-21. PMID 18932178 DOI: 10.1002/Chem.200801128  0.624
2008 Cadenbach T, Bollermann T, Gemel C, Fernandez I, von Hopffgarten M, Frenking G, Fischer RA. Twelve one-electron ligands coordinating one metal center: structure and bonding of [Mo(ZnCH3)9(ZnCp*)3]. Angewandte Chemie (International Ed. in English). 47: 9150-4. PMID 18846517 DOI: 10.1002/Anie.200802811  0.574
2008 Tonner R, Heydenrych G, Frenking G. First and second proton affinities of carbon bases. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 9: 1474-81. PMID 18563766 DOI: 10.1002/Cphc.200800208  0.613
2008 Mörschel P, Janikowski J, Hilt G, Frenking G. Ligand-tuned regioselectivity of a cobalt-catalyzed Diels-Alder reaction. A theoretical study. Journal of the American Chemical Society. 130: 8952-66. PMID 18558688 DOI: 10.1021/Ja078242N  0.383
2008 Gayatri G, Soujanya Y, Fernández I, Frenking G, Sastry GN. Further shortening of the C-C single bond in substituted tetrahedranyl tetrahedrane systems: an energy decomposition analysis. The Journal of Physical Chemistry. A. 112: 12919-24. PMID 18549195 DOI: 10.1021/Jp802886G  0.573
2008 Deshmukh MM, Gadre SR, Tonner R, Frenking G. Molecular electrostatic potentials of divalent carbon(0) compounds. Physical Chemistry Chemical Physics : Pccp. 10: 2298-301. PMID 18414720 DOI: 10.1039/B803068E  0.612
2008 Tonner R, Frenking G. Are carbodiphosphoranes better ligands than N-heterocyclic carbenes for Grubb's catalysts? Chemical Communications (Cambridge, England). 1584-6. PMID 18354807 DOI: 10.1039/B717511F  0.571
2008 Krapp A, Frenking G, Uggerud E. Nonpolar dihydrogen bonds--on a gliding scale from weak dihydrogen interaction to covalent H-H in symmetric radical cations [HnE-H-H-EHn]+. Chemistry: a European Journal. 14: 4028-4038. PMID 18335430 DOI: 10.1002/Chem.200701613  0.309
2008 Tonner R, Frenking G. Divalent carbon(0) chemistry, part 2: Protonation and complexes with main group and transition metal Lewis acids. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 3273-89. PMID 18318021 DOI: 10.1002/Chem.200701392  0.662
2008 Tonner R, Frenking G. Divalent carbon(0) chemistry, part 1: Parent compounds. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 3260-72. PMID 18318020 DOI: 10.1002/Chem.200701390  0.655
2008 Braunschweig H, Fernández I, Frenking G, Kupfer T. Structural evidence for antiaromaticity in free boroles. Angewandte Chemie (International Ed. in English). 47: 1951-4. PMID 18228230 DOI: 10.1002/Anie.200704771  0.457
2008 Fernández I, Cerpa E, Merino G, Frenking G. Structure and Bonding of [E−Cp−E′]+ Complexes (E and E′ = B−Tl; Cp = Cyclopentadienyl) Organometallics. 27: 1106-1111. DOI: 10.1021/Om700994Y  0.586
2008 Lyubimova O, Sizova OV, Loschen C, Frenking G. The nature of the metal–nitric oxide bond in the [M(CN)5(NO)]q (M = Cr, Mn, Fe, Ru, Os, and Co) and trans-[Ru(NH3)4L(NO)]q (L = pyrazine, pyridine, N2, H2O, Cl−, CN−, NO2-) complexes: A bond-energy decomposition analysis Journal of Molecular Structure-Theochem. 865: 28-35. DOI: 10.1016/J.Theochem.2008.06.014  0.344
2008 Haunschild R, Frenking G. Quantum chemical study of ethylene addition to group-7 oxo complexes MO2(CH3)(CH2) (M = Mn, Tc, Re) Journal of Organometallic Chemistry. 693: 3627-3637. DOI: 10.1016/J.Jorganchem.2008.09.007  0.367
2008 Haunschild R, Frenking G. Ethylene addition to group-6 transition metal oxo complexes : A theoretical study Journal of Organometallic Chemistry. 693: 737-749. DOI: 10.1016/J.Jorganchem.2007.12.008  0.391
2008 Caramori GF, Frenking G. Analysis of the metal–ligand bonds in [Mo(X)(NH2)3] (X = P, N, PO, and NO), [Mo(CO)5(NO)]+, and [Mo(CO)5(PO)]+ Theoretical Chemistry Accounts. 120: 351-361. DOI: 10.1007/S00214-008-0435-6  0.686
2008 Krapp A, Lein M, Frenking G. The strength of the σ-, π- and δ-bonds in Re2Cl82− Theoretical Chemistry Accounts. 120: 313-320. DOI: 10.1007/S00214-007-0294-6  0.414
2008 Haunschild R, Frenking G. Ethylene Addition to Group‐9 Transition Metal Dioxo Compounds – A Quantum Chemical Study Zeitschrift FüR Anorganische Und Allgemeine Chemie. 634: 2145-2155. DOI: 10.1002/Zaac.200800243  0.39
2008 Tragl S, Gibson K, Glaser J, Heydenrych G, Frenking G, Duppel V, Simon A, Meyer H‐. Crystalline Intermediates during Polycondensation Reactions in the C–N–Cl System – The Paddle‐Wheel Molecule N(C6N7Cl2)3 Zeitschrift FüR Anorganische Und Allgemeine Chemie. 634: 2754-2760. DOI: 10.1002/Zaac.200800092  0.334
2008 Duarte FJS, Cabrita EJ, Frenking G, Santos AG. Mechanistic Study of Intramolecular Aldol Reactions of Dialdehydes European Journal of Organic Chemistry. 2008: 3397-3402. DOI: 10.1002/Ejoc.200800222  0.311
2008 Elschenbroich C, Six J, Harms K, Frenking G, Heydenrych G. η1‐Coordination of Phosphinine C5H5P and Arsenine C5H5As to Ruthenium(II) and Osmium(II) European Journal of Inorganic Chemistry. 2008: 3303-3309. DOI: 10.1002/Ejic.200701226  0.424
2008 Cadenbach T, Bollermann T, Gemel C, Fernandez I, Hopffgarten Mv, Frenking G, Fischer RA. Cover Picture: Molecular Cut‐Outs of Mo/Zn Hume–Rothery Phases: Synthesis and Structure of [{Mo(CO)4}4(Zn)6(μ‐ZnCp*)4] / Twelve One‐Electron Ligands Coordinating One Metal Center: Structure and Bonding of [Mo(ZnCH3)9(ZnCp*)3] (Angew. Chem. Int. Ed. 47/2008) Angewandte Chemie. 47: 8969-8969. DOI: 10.1002/Anie.200890238  0.548
2008 Cadenbach T, Bollermann T, Gemel C, Fernandez I, Hopffgarten Mv, Frenking G, Fischer RA. Titelbild: Molekulare Ausschnitte von Mo/Zn‐Hume‐Rothery‐Phasen: Synthese und Struktur von [{Mo(CO)4}4(Zn)6(μ‐ZnCp*)4] / Zwölf Einelektronenliganden koordinieren an ein Metallzentrum: Struktur und Bindung von [Mo(ZnCH3)9(ZnCp*)3](Angew. Chem. 47/2008) Angewandte Chemie. 120: 9105-9105. DOI: 10.1002/Ange.200890287  0.483
2008 Cadenbach T, Bollermann T, Gemel C, Fernandez I, Hopffgarten Mv, Frenking G, Fischer RA. Zwölf Einelektronenliganden koordinieren an ein Metallzentrum: Struktur und Bindung von [Mo(ZnCH3)9(ZnCp*)3] Angewandte Chemie. 120: 9290-9295. DOI: 10.1002/Ange.200802811  0.464
2008 Braunschweig H, Fernández I, Frenking G, Kupfer T. Struktureller Nachweis der Antiaromatizität in freien Borolen Angewandte Chemie. 120: 1977-1980. DOI: 10.1002/Ange.200704771  0.467
2007 Frenking G, Tonner R. The ABCs of multiple bonding. Science (New York, N.Y.). 318: 746; author reply 74. PMID 17975048 DOI: 10.1126/Science.318.5851.746A  0.641
2007 Tonner R, Heydenrych G, Frenking G. Bonding analysis of N-heterocyclic carbene tautomers and phosphine ligands in transition-metal complexes: a theoretical study. Chemistry, An Asian Journal. 2: 1555-67. PMID 17939149 DOI: 10.1002/Asia.200700235  0.65
2007 Tonner R, Frenking G. C(NHC)2: divalent carbon(0) compounds with N-heterocyclic carbene ligands-theoretical evidence for a class of molecules with promising chemical properties. Angewandte Chemie (International Ed. in English). 46: 8695-8. PMID 17924383 DOI: 10.1002/Anie.200701632  0.623
2007 Fernandez I, Frenking G. EDA study of pi-conjugation in tunable Bis(gem-diethynylethene) fluorophores. The Journal of Organic Chemistry. 72: 7367-72. PMID 17713955 DOI: 10.1021/Jo071262N  0.528
2007 Lee VY, Kato R, Sekiguchi A, Krapp A, Frenking G. Heavy ferrocene: a sandwich complex containing Si and Ge atoms. Journal of the American Chemical Society. 129: 10340-1. PMID 17676742 DOI: 10.1021/Ja0740162  0.425
2007 Fernández I, Uggerud E, Frenking G. Stable pentacoordinate carbocations: structure and bonding. Chemistry (Weinheim An Der Bergstrasse, Germany). 13: 8620-6. PMID 17659663 DOI: 10.1002/Chem.200700744  0.575
2007 Krapp A, Frenking G. Is this a chemical bond? A theoretical study of Ng2@C60 (Ng=He, Ne, Ar, Kr, Xe). Chemistry: a European Journal. 13: 8256-8270. PMID 17639524 DOI: 10.1002/Chem.200700467  0.372
2007 Fernandez I, Frenking G. Hyperconjugative stabilization in alkyl carbocations: direct estimate of the beta-effect of group-14 elements. The Journal of Physical Chemistry. A. 111: 8028-35. PMID 17630724 DOI: 10.1021/Jp073737K  0.56
2007 Braunschweig H, Fernández I, Frenking G, Radacki K, Seeler F. Synthesis and electronic structure of a ferroborirene. Angewandte Chemie (International Ed. in English). 46: 5215-8. PMID 17538918 DOI: 10.1002/Anie.200700382  0.476
2007 Krapp A, Pandey KK, Frenking G. Transition metal-carbon complexes. A theoretical study. Journal of the American Chemical Society. 129: 7596-7610. PMID 17530845 DOI: 10.1021/Ja0691324  0.364
2007 Fernández I, Frenking G. Aromaticity in metallabenzenes. Chemistry (Weinheim An Der Bergstrasse, Germany). 13: 5873-84. PMID 17455184 DOI: 10.1002/Chem.200601674  0.623
2007 Calhorda MJ, Krapp aA, Frenking G. A new look at the ylidic bond in phosphorus ylides and related compounds: energy decomposition analysis combined with a domain-averaged fermi hole analysis. Journal of Physical Chemistry A. 111: 2859-2869. PMID 17388399 DOI: 10.1021/Jp057320V  0.426
2007 Frenking G, Tonner R. Theoretical chemistry: the six-bond bound. Nature. 446: 276-7. PMID 17361173 DOI: 10.1038/446276A  0.639
2007 Fernández I, Frenking G. Direct estimate of conjugation and aromaticity in cyclic compounds with the EDA method. Faraday Discussions. 135: 403-21; discussion 4. PMID 17328439 DOI: 10.1039/B606835A  0.594
2007 Trinh C, Timoshkin AY, Frenking G. Thermodynamics of the decomposition processes of donor-acceptor complexes MX3 x en x MX3 and MX3 x en. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 8: 425-32. PMID 17177228 DOI: 10.1002/Cphc.200600603  0.389
2007 Frenking G, Krapp A. Unicorns in the world of chemical bonding models Journal of Computational Chemistry. 28: 15-24. PMID 17109434 DOI: 10.1002/Jcc.20543  0.35
2007 Frenking G, Loschen C, Krapp A, Fau S, Strauss SH. Electronic structure of CO--an exercise in modern chemical bonding theory. Journal of Computational Chemistry. 28: 117-26. PMID 16917855 DOI: 10.1002/Jcc.20477  0.406
2007 and GFC, Frenking G. The Nature of the Ru−NO Bond in Ruthenium Tetraammine Nitrosyl Complexes Organometallics. 26: 1660-1660. DOI: 10.1021/Om700271R  0.34
2007 Tonner R, Frenking G, Neumüller B, Dehnicke K. (Ph4P)2[Be2F6]·2CH 3CN: Synthesis, IR spectra, crystal structure, and quantum chemical calculations | (Ph4P)2[Be2F6]·2CH 3CN: Synthese, schwingungsspektrum, kristallstruktur und quantenchemische rechnungen Zeitschrift Fur Anorganische Und Allgemeine Chemie. 633: 1183-1188. DOI: 10.1002/Zaac.200700131  0.605
2007 Haunschild R, Loschen C, Tüllmann S, Cappel D, Hölscher M, Holthausen MC, Frenking G. Theoretical studies of ethylene addition to transition metal compounds with carbene and oxo groups LnM(CH2)(O) Journal of Physical Organic Chemistry. 20: 11-18. DOI: 10.1002/Poc.1095  0.391
2007 Frenking G, Cossío FP, Sierra MA, Fernández I. Double Group Transfer Reactions as Indicators of Aromatic Stabilization European Journal of Organic Chemistry. 2007: 5410-5415. DOI: 10.1002/Ejoc.200700547  0.681
2007 Tonner R, Frenking G, Neumueller B, Dehnicke K. (Ph4P)2 [Be2F6]×2CH3CN: Synthesis, IR Spectra, Crystal Structure, and Quantum Chemical Calculations. Cheminform. 38. DOI: 10.1002/chin.200735014  0.535
2007 Tonner R, Frenking G. C(NHC)2: zweibindige Kohlenstoff(0)‐Verbindungen mit N‐heterocyclischen Carbenliganden – theoretische Belege für eine Molekülklasse mit vielversprechenden Eigenschaften Angewandte Chemie. 119: 8850-8853. DOI: 10.1002/Ange.200701632  0.567
2007 Braunschweig H, Fernández I, Frenking G, Radacki K, Seeler F. Synthese und Elektronenstruktur eines Ferroborirens Angewandte Chemie. 119: 5307-5310. DOI: 10.1002/Ange.200700382  0.473
2007 Frenking G, Neumüller B, Petz W, Tonner R, Öxler F. Reply to Réplique: A New Concept for Bonding in Carbodiphosphoranes? Angewandte Chemie. 46: 2986-2987. DOI: 10.1002/Ange.200700327  0.617
2006 Fernández I, Frenking G. Pi-conjugation in donor-substituted cyanoethynylethenes: an EDA study. Chemical Communications (Cambridge, England). 5030-2. PMID 17146517 DOI: 10.1039/B613671K  0.492
2006 Tonner R, Oxler F, Neumüller B, Petz W, Frenking G. Carbodiphosphoranes: the chemistry of divalent carbon(0). Angewandte Chemie (International Ed. in English). 45: 8038-42. PMID 17075933 DOI: 10.1002/Anie.200602552  0.56
2006 Krapp A, Bickelhaupt FM, Frenking G. Orbital overlap and chemical bonding. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 9196-216. PMID 17024702 DOI: 10.1002/Chem.200600564  0.413
2006 Raubenheimer HG, Esterhuysen MW, Frenking G, Timoshkin AY, Esterhuysen C, Horvath UEI. Aurolysis of α-C-deprotonated group 6 aminocarbene and thiocarbene complexes with Ph3PAu+ Dalton Transactions. 4580-9. PMID 17016569 DOI: 10.1039/B607613K  0.382
2006 Buchin B, Gemel C, Cadenbach T, Fernández I, Frenking G, Fischer RA. "Naked" Ga+ and In+ as pure acceptor ligands: structure and bonding of [GaPt(GaCp*)4][BArF]. Angewandte Chemie (International Ed. in English). 45: 5207-10. PMID 16927329 DOI: 10.1002/Anie.200601007  0.546
2006 Bessac F, Frenking G. Chemical bonding in phosphane and amine complexes of main group elements and transition metals. Inorganic Chemistry. 45: 6956-6964. PMID 16903755 DOI: 10.1021/Ic060541A  0.427
2006 Erhardt S, Frenking G. A Challenge to Chemical Intuition: Donor–Acceptor Interactions in H3B ? L and H2B+ ? L (L=CO; EC5H5, E=N–Bi) Chemistry: a European Journal. 12: 4620-4629. PMID 16598798 DOI: 10.1002/Chem.200500580  0.334
2006 Frenking G, Krapp A, Nagase S, Takagi N, Sekiguchi A. Comment on "Disproving a silicon analog of an alkyne with the aid of topological analyses of the electronic structure and ab initio molecular dynamics calculations". Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 799-800; author repl. PMID 16596606 DOI: 10.1002/Cphc.200500689  0.304
2006 Fernández I, Frenking G. Correlation between Hammett substituent constants and directly calculated pi-conjugation strength. The Journal of Organic Chemistry. 71: 2251-6. PMID 16526770 DOI: 10.1021/Jo052012E  0.554
2006 Fernández I, Frenking G. Direct estimate of the strength of conjugation and hyperconjugation by the energy decomposition analysis method. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 3617-29. PMID 16502455 DOI: 10.1002/Chem.200501405  0.575
2006 Schneider SK, Julius GR, Loschen C, Raubenheimer HG, Frenking G, Herrmann WA. A first structural and theoretical comparison of pyridinylidene-type rNHC (remote N-heterocyclic carbene) and NHC complexes of Ni(II) obtained by oxidative substitution. Dalton Transactions (Cambridge, England : 2003). 1226-33. PMID 16482361 DOI: 10.1039/B512419K  0.386
2006 Davydova EI, Sevast’yanova TN, Suvorov AV, Frenking G. Quantum-chemical study of adducts of germanium halides with nitrogen-containing donors Russian Journal of General Chemistry. 76: 545-553. DOI: 10.1134/S1070363206040098  0.418
2006 Davydova EI, Timoshkin AY, Sevastianova TN, Suvorov AV, Frenking G. Lewis acidity of group 14 tetrahalides in gas phase Journal of Molecular Structure-Theochem. 767: 103-111. DOI: 10.1016/J.Theochem.2006.05.011  0.414
2006 Cappel D, Tüllmann S, Loschen C, Holthausen MC, Frenking G. Ethylene addition to OsO3(CH2) – A theoretical study Journal of Organometallic Chemistry. 691: 4467-4473. DOI: 10.1016/J.Jorganchem.2006.03.010  0.358
2006 Metz S, Holthausen MC, Frenking G. Theoretical Studies of Inorganic Compounds. 361) Structures and Bonding Analyses of Beryllium Chloro Complexes with Nitrogen Donors Zeitschrift FüR Anorganische Und Allgemeine Chemie. 632: 814-818. DOI: 10.1002/Zaac.200500438  0.455
2006 Tonner R, Öxler F, Neumüller B, Petz W, Frenking G. Carbodiphosphorane: die Chemie von zweibindigem Kohlenstoff(0) Angewandte Chemie. 118: 8206-8211. DOI: 10.1002/Ange.200602552  0.53
2006 Buchin B, Gemel C, Cadenbach T, Fernández I, Frenking G, Fischer RA. “Nacktes” Ga+ und In+ als reine Acceptorliganden: Struktur und Bindungsverhältnisse von [GaPt(GaCp*)4][BArF] Angewandte Chemie. 118: 5331-5334. DOI: 10.1002/Ange.200601007  0.437
2005 Frenking G. Building a Quintuple Bond Science. 310: 796-797. PMID 16272107 DOI: 10.1126/Science.1120281  0.393
2005 Hölscher M, Leitner W, Holthausen MC, Frenking G. Chemo- and periselectivity in the addition of [OsO2(CH2)2] to ethylene: a theoretical study. Chemistry (Weinheim An Der Bergstrasse, Germany). 11: 4700-8. PMID 15915524 DOI: 10.1002/Chem.200500217  0.359
2005 Lein M, Krapp A, Frenking G. Why do the heavy-atom analogues of acetylene E2H2 (E = Si-Pb) exhibit unusual structures? Journal of the American Chemical Society. 127: 6290-9. PMID 15853336 DOI: 10.1021/JA042295C  0.317
2005 Petz W, Kutschera C, Heitbaum M, Frenking G, Tonner R, Neumüller B. Experimental and theoretical studies of carbodiphosphorane-CX2 adducts with unusual bonding situations: preparation, crystal structures, and bonding analyses of S2CC(PPh3)2, O2CC(PPh3)2, and [(CO)4MS2CC(PPh3)2] (M = Cr, Mo, W). Inorganic Chemistry. 44: 1263-74. PMID 15732966 DOI: 10.1021/Ic048397L  0.682
2005 Kovács A, Esterhuysen C, Frenking G. The nature of the chemical bond revisited: an energy-partitioning analysis of nonpolar bonds. Chemistry: a European Journal. 11: 1813-1825. PMID 15672434 DOI: 10.1002/Chem.200400525  0.407
2005 Ipaktschi J, Mohsseni-Ala J, DüLMER A, Loschen C, Frenking G. Reaction of Tungsten η1-Acetylide Complexes [(η5-C5H5)(NO)(CO)W−C⋮C−R]Li with Iminium Ions Organometallics. 24: 977-989. DOI: 10.1021/Om0491185  0.369
2005 Frenking G, Solà M, Vyboishchikov SF. Chemical bonding in transition metal carbene complexes Journal of Organometallic Chemistry. 690: 6178-6204. DOI: 10.1016/J.Jorganchem.2005.08.054  0.451
2005 Dykstra CE, Frenking G, Kim KS, Scuseria GE. Computing technologies, theories, and algorithms: The making of 40 years and more of theoretical and computational chemistry Theory and Applications of Computational Chemistry. 1-7. DOI: 10.1016/B978-044451719-7/50044-5  0.537
2005 Szabó A, Kovács A, Frenking G. Theoretical Studies of Inorganic Compounds. 341) Energy Decomposition Analysis of E–E Bonding in Planar and Perpendicular X2E−EX2 (E = B, Al, Ga, In, Tl; X = H, F, Cl, Br, I) Zeitschrift FüR Anorganische Und Allgemeine Chemie. 631: 1803-1809. DOI: 10.1002/Zaac.200500183  0.444
2005 Poleshchuk OK, Shevchenko EL, Branchadell V, Lein M, Frenking G. Energy analysis of the chemical bond in group IV and V complexes: A density functional theory study International Journal of Quantum Chemistry. 101: 869-877. DOI: 10.1002/Qua.20348  0.419
2005 Schneider SK, Roembke P, Julius GR, Loschen C, Raubenheimer HG, Frenking G, Herrmann WA. Extending the NHC concept: C-C coupling catalysis by a PdII carbene (rNHC) complex with remote heteroatoms European Journal of Inorganic Chemistry. 2973-2977. DOI: 10.1002/Ejic.200500307  0.366
2004 Santos AG, Pereira J, Afonso CA, Frenking G. New chiral auxiliaries for dynamic kinetic resolution: from theory to experiment. Chemistry (Weinheim An Der Bergstrasse, Germany). 11: 330-43. PMID 15551320 DOI: 10.1002/Chem.200400512  0.35
2004 Frunzke J, Loschen C, Frenking G. Why are olefins oxidized by RuO4 under cleavage of the carbon-carbon bond whereas oxidation by OsO4 yields cis-diols? Journal of the American Chemical Society. 126: 3642-3652. PMID 15025493 DOI: 10.1021/Ja039921A  0.39
2004 Loschen C, Frenking G. Quantum chemical investigations and bonding analysis of iron complexes with mixed cyano and carbonyl ligands. Inorganic Chemistry. 43: 778-784. PMID 14731041 DOI: 10.1021/Ic034807E  0.411
2004 Lein M, Frenking G. Chemical Bonding in Octahedral XeF6 and SF6 Australian Journal of Chemistry. 57: 1191-1195. DOI: 10.1071/Ch04113  0.407
2004 Pandey KK, Lein M, Frenking G. Where are the hydrogen atoms in [(η5-C5H5)(PH3)2W(H2SiMe2)]+? A theoretical study Organometallics. 23: 2944-2948. DOI: 10.1021/Om049964F  0.425
2004 Nemcsok D, Wichmann aK, Frenking G. The Significance of π Interactions in Group 11 Complexes with N-Heterocyclic Carbenes† Organometallics. 23: 3640-3646. DOI: 10.1021/Om049802J  0.438
2004 Ponec R, Yuzhakov G, Girones X, Frenking G. Chemical Structures from the Analysis of Domain-Averaged Fermi Holes. The Nature of Ga−Ga Bonding in PhGaGaPh2- and (PhGaGaPh)Na2 Organometallics. 23: 1790-1796. DOI: 10.1021/Om0344067  0.416
2004 Zhang J, Frenking G. Quantum Chemical Analysis of the Chemical Bonds in Tris(8-hydroxyquinolinato)aluminum as a Key Emitting Material for OLED Journal of Physical Chemistry A. 108: 10296-10301. DOI: 10.1021/Jp0489774  0.347
2004 Nechaev MS, and VMR,, Frenking G. Energy Partitioning Analysis of the Bonding in Ethylene and Acetylene Complexes of Group 6, 8, and 11 Metals: (CO)5TM−C2Hx and Cl4TM−C2Hx (TM = Cr, Mo, W), (CO)4TM−C2Hx (TM = Fe, Ru, Os), and TM+−C2Hx (TM = Cu, Ag, Au)†,§,⊥ Journal of Physical Chemistry A. 108: 3134-3142. DOI: 10.1021/Jp031185+  0.438
2004 Fischer RA, Weiß D, Winter M, Müller I, Kaesz HD, Fröhlich N, Frenking G. The reaction of the group-13 alkyls ER 3 (E = Al, Ga, In; R = CH 2t-Bu, CH 2 SiMe 3) with the platinum-complex [(dcpe)Pt(H)(CH 2t-Bu)] Journal of Organometallic Chemistry. 689: 4611-4623. DOI: 10.1016/J.Jorganchem.2004.09.059  0.339
2004 Zhang J, Frenking G. Quantum chemical analysis of the chemical bonds in Mq3 (M = AlIII, GaIII) as emitting material for OLED Chemical Physics Letters. 394: 120-125. DOI: 10.1016/J.Cplett.2004.06.074  0.404
2004 Esterhuysen C, Frenking G. The nature of the chemical bond revisited. An energy partitioning analysis of diatomic molecules E 2 (E=N–Bi, F–I), CO and BF Theoretical Chemistry Accounts. 113: 294-294. DOI: 10.1007/S00214-005-0673-9  0.432
2004 Davydova EI, Sevastianova TN, Timoshkin AY, Suvorov AV, Frenking G. Chelate effect: The importance of reorganization energy International Journal of Quantum Chemistry. 100: 419-425. DOI: 10.1002/Qua.20094  0.372
2004 Pandey KK, Frenking G. The Nature of the M≡E Bond: Theoretical Investigation of the Molecules [(RO)3M≡E] (M = Mo, W; E = N, P, As, Sb, Bi; R = H, Me) and [(Me3CO)3Mo≡P] European Journal of Inorganic Chemistry. 2004: 4388-4395. DOI: 10.1002/Ejic.200400353  0.462
2003 Bessac F, Frenking G. Why is BCl3 a stronger Lewis acid with respect to strong bases than BF3 Inorganic Chemistry. 42: 7990-7994. PMID 14632517 DOI: 10.1021/Ic034141O  0.412
2003 Lein M, Szabó A, Kovács A, Frenking G. Energy decomposition analysis of the chemical bond in main group and transition metal compounds. Faraday Discussions. 124: 365-78; discussion 3. PMID 14527226 DOI: 10.1039/B300066B  0.451
2003 Deubel DV, Frenking G. [3+2] versus [2+2] addition of metal oxides across C=C bonds. Reconciliation of experiment and theory. Accounts of Chemical Research. 36: 645-651. PMID 12974647 DOI: 10.1021/Ar020268Q  0.372
2003 Esterhuysen C, Frenking G. Comparison of Side‐On and End‐On Coordination of E2 Ligands in Complexes [W(CO)5E2] (E=N, P, As, Sb, Bi, Si−, Ge−, Sn−, Pb−) Chemistry: a European Journal. 9: 3518-3529. PMID 12898679 DOI: 10.1002/Chem.200304723  0.394
2003 Dietz O, Rayon VM, Frenking G. Molecular structures, bond energies, and bonding analysis of group 11 cyanides TM(CN) and isocyanides TM(NC) (TM = Cu, Ag, Au) Inorganic Chemistry. 42: 4977-4984. PMID 12895123 DOI: 10.1021/Ic034120U  0.403
2003 Lein M, Frunzke J, Frenking G. Structures and bonding of the sandwich complexes [Ti(eta5-E5)2]2- (E = CH, N, P, As, Sb): a theoretical study. Inorganic Chemistry. 42: 2504-11. PMID 12691555 DOI: 10.1021/IC020592H  0.325
2003 Pandey KK, Lein M, Frenking G. Metal Germylyne Complexes [M⋮Ge−R] and Metallogermylenes [M−Ge−R]: DFT Analysis of the Systems [(Cp)(CO)nM⋮GeMe] (M = Cr, Mo, W, Fe2+, n = 2; M = Fe, n = 1) and [(Cp)(CO)nM−GeMe] (M = Cr, Mo, W, n = 3; M = Fe, n = 2) Journal of the American Chemical Society. 125: 1660-1668. PMID 12568628 DOI: 10.1021/Ja020974M  0.45
2003 Timoshkin AY, Frenking G. “True” Inorganic Heterocycles: Structures and Stability of Group 13−15 Analogues of Benzene and Their Dimers Inorganic Chemistry. 42: 60-69. PMID 12513078 DOI: 10.1021/Ic020361A  0.425
2003 Uhl W, El-Hamdan A, Prött M, Spuhler P, Frenking G. Ga2I2[C(SiMe3)3]2– an organogallium(II) halide containing a Ga–Ga single bond Dalton Transactions. 1360-1364. DOI: 10.1039/B212144C  0.382
2003 Loss S, Widauer C, Rüegger H, Fleischer U, Marchand CM, Grützmacher H, Frenking G. Exploration of isomeric bis(phosphanyl)-substituted carbenium ions: identification and synthesis of the most stable isomer Dalton Transactions. 85-91. DOI: 10.1039/B207749C  0.307
2003 Poleshchuk OK, Kalinina EL, Shanina YA, Frenking G. Donor–Acceptor Bond in Nontransition and Transition Element Complexes: Studies with Natural Bonding Orbital Approach Russian Journal of Coordination Chemistry. 29: 53-59. DOI: 10.1023/A:1021847118400  0.425
2003 Massera aC, Frenking G. Energy partitioning analysis of the bonding in L2TM-C2H2 and L2TM-C2H4 (TM = Ni, Pd, Pt; L2 = (PH3)2, (PMe3)2, H2PCH2PH2, H2P(CH2)2PH2) Organometallics. 22: 2758-2765. DOI: 10.1021/Om0301637  0.407
2003 Rayon VM, Frenking G. Bis(benzene)chromium Is a δ-Bonded Molecule and Ferrocene Is a π-Bonded Molecule† Organometallics. 22: 3304-3308. DOI: 10.1021/Om020968Z  0.425
2003 Timoshkin AY, Siodmiak M, Korkin AA, Frenking G. Formation of oligomer species in the course of the TiCl4 ammonolysis and their role in Ti(IV)-Ti(III) reduction processes: A theoretical study Computational Materials Science. 27: 109-116. DOI: 10.1016/S0927-0256(02)00433-0  0.376
2003 Frenking G, Wichmann K, Fröhlich N, Loschen C, Lein M, Frunzke J, Rayón VM. Towards a rigorously defined quantum chemical analysis of the chemical bond in donor–acceptor complexes☆ Coordination Chemistry Reviews. 55-82. DOI: 10.1016/S0010-8545(02)00285-0  0.409
2003 Spuhler P, Lein M, Frenking G. Theoretical Studies of Inorganic Compounds. 27 Quantum Chemical Investigations of Transition Metal Nitrido Complexes with a TM‐N‐E Linkage (E = Main Group Element) Zeitschrift FüR Anorganische Und Allgemeine Chemie. 629: 803-815. DOI: 10.1002/Zaac.200390142  0.394
2003 Frenking G. Book Review: Chemical Bonding and Molecular Geometry From Lewis to Electron Densities. By Ronald J. Gillespie and Paul L. A. Popelier Angewandte Chemie. 42: 143-147. DOI: 10.1002/Anie.200390069  0.351
2003 Frenking G. Buchbesprechung: Chemical Bonding and Molecular Geometry From Lewis to Electron Densities. Von Ronald J. Gillespie und Paul L. A. Popelier Angewandte Chemie. 115: 152-156. DOI: 10.1002/Ange.200390037  0.364
2002 Rayón VM, Frenking G. Structures, bond energies, heats of formation, and quantitative bonding analysis of main-group metallocenes [E(Cp)2] (E = Be-Ba, Zn, Si-Pb) and [E(Cp)] (E = Li-Cs, B-Tl). Chemistry: a European Journal. 8: 4693-4707. PMID 12561110 DOI: 10.1002/1521-3765(20021018)8:20<4693::Aid-Chem4693>3.0.Co;2-B  0.427
2002 Timoshkin AY, Frenking G. Low-Valent Group-13 Chemistry. Theoretical Investigation of the Structures and Relative Stabilities of Donor−Acceptor Complexes R3E−E‘R‘ and Their Isomers R2E−E‘RR‘ † Journal of the American Chemical Society. 124: 7240-7248. PMID 12059251 DOI: 10.1021/Ja0201754  0.346
2002 Nemcsok DS, Kovacs A, Rayon VM, Frenking G. Nature of the Transition-Metal−η2-H2 Bond in TM(CO)3X2(η2-H2) (TM = Cr, Mo, W; X = CO, PH3, PCl3, PMe3) Complexes† Organometallics. 21: 5803-5809. DOI: 10.1021/Om020551T  0.391
2002 Frunzke J, Lein M, Frenking G. Structures, Metal−Ligand Bond Strength, and Bonding Analysis of Ferrocene Derivatives with Group-15 Heteroligands Fe(η5-E5)2 and FeCp(η5-E5) (E = N, P, As, Sb). A Theoretical Study† Organometallics. 21: 3351-3359. DOI: 10.1021/Om020397A  0.421
2002 Cases M, Frenking G, Duran aM, Solà M. Molecular Structure and Bond Characterization of the Fischer-Type Chromium−Carbene Complexes (CO)5CrC(X)R (X = H, OH, OCH3, NH2, NHCH3 and R = H, CH3, CHCH2, Ph, C⋮CH) Organometallics. 21: 4182-4191. DOI: 10.1021/Om0203330  0.378
2002 Frenking G, Wichmann K, Fröhlich N, Grobe J, Golla W, Van DL, Krebs B, Läge M. Nature of the Metal−Ligand Bond in M(CO)5PX3 Complexes (M = Cr, Mo, W; X = H, Me, F, Cl): Synthesis, Molecular Structure, and Quantum-Chemical Calculations Organometallics. 21: 2921-2930. DOI: 10.1021/Om020311D  0.438
2002 Raubenheimer HG, Esterhuysen MW, Timoshkin A, Chen Y, Frenking G. Electrophilic Addition of Ph3PAu+ to Anionic Alkoxy Fischer-Type Carbene Complexes: A Novel Approach to Metal-Stabilized Bimetallic Vinyl Ether Complexes Organometallics. 21: 3173-3181. DOI: 10.1021/Om020048G  0.434
2002 Weiß D, Winter M, Merz K, Knüfer A, Fischer RA, Fröhlich N, Frenking G. Synthesis, structure and bonding situation of [(dcpe)Pt(InCp*)2] and {(dcpe)Pt[GaC(SiMe3)3]2}—two novel examples of platinum complexes of low valent Group 13 metal species Polyhedron. 21: 535-542. DOI: 10.1016/S0277-5387(01)01027-0  0.372
2002 Loschen C, Voigt K, Frunzke J, Diefenbach A, Diedenhofen M, Frenking G. Theoretical Studies of Inorganic Compounds. 19 1) Quantum Chemical Investigations of the Phosphane Complexes X3B‐PY3 and X3Al‐PY3 (X = H, F, Cl; Y = F, Cl, Me, CN) Zeitschrift FüR Anorganische Und Allgemeine Chemie. 628: 1294-1304. DOI: 10.1002/1521-3749(200206)628:6<1294::Aid-Zaac1294>3.0.Co;2-B  0.418
2002 Doerr M, Frenking G. Why are the Homoleptic Diyl Complexes M(InR)4 with M = Ni and Pt Stable Compounds while only Ni(CO)4 but not Pt(CO)4 can become Isolated? A Theoretical Study of M(EMe)44 and M(CO)4 (M = Ni, Pd, Pt; E = B, Al, Ga, In, Tl) Zeitschrift FüR Anorganische Und Allgemeine Chemie. 628: 843-850. DOI: 10.1002/1521-3749(200205)628:4<843::Aid-Zaac843>3.0.Co;2-Q  0.382
2001 Sahin Y, Hartmann M, Geiseler G, Schweikart D, Balzereit C, Frenking G, Massa W, Berndt A. Nonorthogonal Dilithium-1,3-biborataallenes Containing Planar-Tetracoordinate Carbon Atoms. Angewandte Chemie (International Ed. in English). 40: 2662-2665. PMID 29712314 DOI: 10.1002/1521-3773(20010716)40:14<2662::Aid-Anie2662>3.0.Co;2-V  0.34
2001 Chen Y, Hartmann M, Diedenhofen M, Frenking G. Turning a Transition State into a Minimum-The Nature of the Bonding in Diplumbylene Compounds RPbPbR (R=H, Ar). Angewandte Chemie (International Ed. in English). 40: 2051-2055. PMID 29712211 DOI: 10.1002/1521-3773(20010601)40:11<2051::Aid-Anie2051>3.0.Co;2-D  0.41
2001 Lein M, Frunzke J, Timoshkin A, Frenking G. Iron Bispentazole Fe(η5‐N5)2, a Theoretically Predicted High‐Energy Compound: Structure, Bonding Analysis, Metal–Ligand Bond Strength and a Comparison with the Isoelectronic Ferrocene Chemistry: a European Journal. 7: 4155-4163. PMID 11686594 DOI: 10.1002/1521-3765(20011001)7:19<4155::Aid-Chem4155>3.0.Co;2-M  0.42
2001 Deubel DV, Schlecht S, Frenking G. [2+2] versus [3+2] addition of metal oxides across C=C double bonds: toward an understanding of the surprising chemo- and periselectivity of transition-metal-oxide additions to ketene. Journal of the American Chemical Society. 123: 10085-94. PMID 11592888 DOI: 10.1021/Ja003733S  0.387
2001 Rissler J, Hartmann M, Marchand CM, Grützmacher H, Frenking G. π‐Donation and Stabilizing Effects of Pnicogens in Carbenium and Silicenium Ions: A Theoretical Study of [C(XH2)3]+ and [Si(XH2)3]+ (X=N, P, As, Sb, Bi) Chemistry: a European Journal. 7: 2834-2841. PMID 11486960 DOI: 10.1002/1521-3765(20010702)7:13<2834::Aid-Chem2834>3.0.Co;2-E  0.343
2001 Uddin J, Frenking G. Energy analysis of metal-ligand bonding in transition metal complexes with terminal group-13 diyl ligands (CO)4Fe-ER, Fe(EMe)5 and Ni(EMe)4 (E = B-Tl; R = Cp, N(SiH3)2, Ph, Me) reveals significant π bonding in homoleptical molecules Journal of the American Chemical Society. 123: 1683-1693. PMID 11456768 DOI: 10.1021/Ja002845G  0.361
2001 Deubel DV, Sundermeyer J, Frenking G. In search of catalytically active species in the surfactant-mediated biphasic alkene epoxidation with Mimoun-type complexes. Organic Letters. 3: 329-332. PMID 11428006 DOI: 10.1021/Ol006775U  0.306
2001 Uhl W, Melle S, Frenking G, Hartmann M. Reaction of Ni2Cp2(mu-CO)2 with the alkylgallium(I) and alkylindium(I) compounds E4[C(SiMe3)3]4 (E = Ga, In). Insertion of E-R groups into the Ni-Ni bond versus replacement of CO by the isolobal E-R ligands. Inorganic Chemistry. 40: 750-755. PMID 11225119 DOI: 10.1021/Ic0005947  0.418
2001 Chen Y, Frenking G. Theory predicts that the weaker π-accepting ligand diaminoborylene occupies the equatorial position in (OC)4Fe–B(NH2): theoretical study of (OC)4Fe–B(NH2) and (OC)4Fe–BH Journal of the Chemical Society-Dalton Transactions. 434-440. DOI: 10.1039/B006180H  0.433
2001 and AK, Frenking G. Stability and Bonding Situation of Electron-Deficient Transition-Metal Complexes. Theoretical Study of the CO-Labilizing Effect of Ligands L in [W(CO)5L] (L = C2H2, NCH, N2, C2H4, OH2, SH2, NH3, F-, Cl-, OH-, SH-) and [W(CO)4L]2- (L2- = O2C2H22-, S2C2H22-) and the Structure of the 16-Valence-Electron Complexes [W(CO)4L] and [W(CO)3L]2- † Organometallics. 20: 2510-2524. DOI: 10.1021/Om0101893  0.355
2001 Sekušak S, Frenking G. Stepwise hydrogenation of N2 — a large-scale investigation of the performance and basis set convergence of DFT and conventional ab initio methods Journal of Molecular Structure-Theochem. 541: 17-29. DOI: 10.1016/S0166-1280(00)00715-6  0.332
2001 Frenking G. Understanding the nature of the bonding in transition metal complexes: from Dewar's molecular orbital model to an energy partitioning analysis of the metal–ligand bond ☆ Journal of Organometallic Chemistry. 635: 9-23. DOI: 10.1016/S0022-328X(01)01154-8  0.443
2001 Dölker N, Frenking G. Two possible reaction pathways for the formation of a ruthenium carbene complex by addition of acetylene to [RuH2Cl2(PH3)2]: a quantum chemical study Journal of Organometallic Chemistry. 617: 225-232. DOI: 10.1016/S0022-328X(00)00554-4  0.383
2001 Chen Y, Hartmann M, Frenking G. Ligand Site Preference in Iron Tetracarbonyl Complexes Fe(CO)4L (L = CO, CS, N2, NO+, CN–, NC–, η2‐C2H4, η2‐C2H2, CCH2, CH2, CF2, NH3, NF3, PH3, PF3, η2‐H2) Zeitschrift FüR Anorganische Und Allgemeine Chemie. 627: 985-998. DOI: 10.1002/1521-3749(200105)627:5<985::Aid-Zaac985>3.0.Co;2-#  0.367
2001 Deubel DV, Sundermeyer J, Frenking G. Olefin Epoxidation with Transition Metal η2-Peroxo Complexes: The Control of Reactivity European Journal of Inorganic Chemistry. 2001: 1819-1827. DOI: 10.1002/1099-0682(200107)2001:7<1819::Aid-Ejic1819>3.0.Co;2-K  0.403
2001 Chen Y, Hartmann M, Frenking G. On the Relevance of Mono- and Dinuclear Iron Carbonyl Complexes to the Fixation and Stepwise Hydrogenation of N2 European Journal of Inorganic Chemistry. 2001: 1441-1448. DOI: 10.1002/1099-0682(200106)2001:6<1441::Aid-Ejic1441>3.0.Co;2-G  0.409
2000 Deubel DV, Sundermeyer J, Frenking G. Theoretical studies of molybdenum peroxo complexes [MoOn(O2)3-n(OPH3)] as catalysts for olefin epoxidation. Inorganic Chemistry. 39: 2314-2320. PMID 12526491 DOI: 10.1021/Ic000204G  0.361
2000 Giju KT, Bickelhaupt FM, Frenking G. Structure and bonding of transition metal-boryl compounds. Theoretical study of [(PH3)2(CO)ClOs-BR2] and [(PH3)2(CO)2ClOs-BR2] (BR2 = BH2, BF2, B(OH)2, B(OCH=CHO), Bcat). Inorganic Chemistry. 39: 4776-85. PMID 11196954 DOI: 10.1021/Ic9913637  0.424
2000 Timoshkin A, Frenking G. Relative energies of the C2H2S2 isomers 1,2-dithiete and dithioglyoxal: Peculiar basis set dependencies of density functional theory and ab initio methods Journal of Chemical Physics. 113: 8430-8433. DOI: 10.1063/1.1318749  0.309
2000 Weiß D, Winter M, Fischer RA, Yu C, Wichmann K, Frenking G. [Pt2(GaCp*)2(μ2-GaCp*)3]: structure and bonding situation of the first homoleptic platinum complex with terminal and bridging Cp*Ga ligands Chemical Communications. 2495-2496. DOI: 10.1039/B008133G  0.36
2000 Uddin J, Boehme C, Frenking G. Nature of the Chemical Bond between a Transition Metal and a Group-13 Element:  Structure and Bonding of Transition Metal Complexes with Terminal Group-13 Diyl Ligands ER (E = B to Tl; R = Cp, N(SiH3)2, Ph, Me) Organometallics. 19: 571-582. DOI: 10.1021/Om990936K  0.457
2000 Weiss D, Steinke T, Winter aM, Fischer RA, Fröhlich N, Uddin aJ, Frenking G. [(dcpe)Pt(ECp*)2] (E = Al, Ga): Synthesis, Structure, and Bonding Situation of the First Aluminum(I) and Gallium(I) Complexes of Phosphine-Substituted Transition Metal Centers Organometallics. 19: 4583-4588. DOI: 10.1021/Om000310Q  0.406
2000 Chen Y, Petz aW, Frenking G. Is It Possible to Synthesize a Low-Valent Transition Metal Complex with a Neutral Carbon Atom as Terminal Ligand? A Theoretical Study of (CO)4FeC† Organometallics. 19: 2698-2706. DOI: 10.1021/Om000250O  0.472
2000 Deubel DV, Sundermeyer aJ, Frenking G. Mechanism of the Olefin Epoxidation Catalyzed by Molybdenum Diperoxo Complexes: Quantum-Chemical Calculations Give an Answer to a Long-Standing Question† Journal of the American Chemical Society. 122: 10101-10108. DOI: 10.1021/Ja0006649  0.346
2000 Diefenbach A, Bickelhaupt FM, Frenking G. The Nature of the Transition Metal−Carbonyl Bond and the Question about the Valence Orbitals of Transition Metals. A Bond-Energy Decomposition Analysis of TM(CO)6q(TMq= Hf2-, Ta-, W, Re+, Os2+, Ir3+)† Journal of the American Chemical Society. 122: 6449-6458. DOI: 10.1021/Ja000663G  0.425
2000 Siodmiak M, Frenking G, Korkin A. On the mechanism of chemical vapor deposition of Ta2O5 from TaCl5 and H2O. An ab initio study of gas phase reactions Materials Science in Semiconductor Processing. 3: 65-70. DOI: 10.1016/S1369-8001(00)00010-X  0.363
2000 Senn H, Deubel D, Blöchl P, Togni A, Frenking G. Phosphane lone-pair energies as a measure of ligand donor strengths and relation to activation energies Journal of Molecular Structure: Theochem. 506: 233-242. DOI: 10.1016/S0166-1280(00)00415-2  0.339
2000 Diedenhofen M, Jonas V, Frenking G. Tetracyclo(3.1.0.0(1.3).0(3.5))hexane: a new C 6 H 6 isomer with an unusual bonding situation Journal of Molecular Structure. 556: 23-32. DOI: 10.1016/S0022-2860(00)00643-8  0.427
2000 Hernández MG, Beste A, Frenking G, Illas F. Charge decomposition analysis of the chemisorption bond Chemical Physics Letters. 320: 222-228. DOI: 10.1016/S0009-2614(00)00160-3  0.354
2000 Siodmiak M, Frenking G, Korkin A. Theoretical ab initio Study of TiCl4 Ammonolysis: Gas Phase Reactions of TiN Chemical Vapor Deposition Journal of Molecular Modeling. 6: 413-424. DOI: 10.1007/Pl00010740  0.384
2000 Frenking G. Perspective on “Quantentheoretische Beiträge zum Benzolproblem. I. Die Elektronenkonfiguration des Benzols und verwandter Beziehungen” Theoretical Chemistry Accounts. 103: 187-189. DOI: 10.1007/978-3-662-10421-7_7  0.328
2000 Frenking G. Perspective on “Wechselwirkung neutraler Atome und homöopolare Bindung nach der Quantenmechanik” Theoretical Chemistry Accounts. 103: 177-179. DOI: 10.1007/978-3-662-10421-7_4  0.361
2000 Esser M, Neumüller B, Petz W, Uddin J, Frenking G. Darstellung, Kristallstruktur und quantenchemische Berechnung von [C(NMe2)3]2[(CO)4FeInCl3] Zeitschrift FüR Anorganische Und Allgemeine Chemie. 626: 915-920. DOI: 10.1002/(Sici)1521-3749(200004)626:4<915::Aid-Zaac915>3.0.Co;2-V  0.378
2000 Beste A, Frenking G. A Theoretical Study of the Reductive Elimination of CH3EH3 fromcis-[Pt(CH3)(EH3)(PH3)2] (E = Si, Ge) in the Presence of Acetylene Zeitschrift FüR Anorganische Und Allgemeine Chemie. 626: 381-391. DOI: 10.1002/(Sici)1521-3749(200002)626:2<381::Aid-Zaac381>3.0.Co;2-A  0.34
1999 Fau S, Frenking G. Theoretical investigation of the weakly bonded donor—acceptor complexes X3B—H2, X3B—C2H4, and X3B—C2H2 (X = H, F, Cl) Molecular Physics. 96: 519-527. DOI: 10.1080/00268979909482989  0.433
1999 Uhl W, Benter M, Melle S, Saak W, Frenking G, Uddin J. Synthesis and Structure of [Ni{Ga−C(SiMe3)3}4] and Quantum-Chemical Verification of Strong π Back-Bonding in the Model Compounds [Ni(EMe)4] (E = B, Al, Ga, In, Tl) Organometallics. 18: 3778-3780. DOI: 10.1021/Om990417H  0.385
1999 Kovács A, Frenking G. Bonding Interactions of a Molecular Pair of Tweezers with Transition Metals. Theoretical Study of Bis(η2-alkyne) Complexes of Copper(I), Silver(I), and Gold(I)1 Organometallics. 18: 887-894. DOI: 10.1021/Om9809623  0.46
1999 Uddin J, Dapprich S, Frenking G, Yates BF. Nature of the Metal−Alkene Bond in Platinum Complexes of Strained Olefins Organometallics. 18: 457-465. DOI: 10.1021/Om9805842  0.406
1999 Deubel DV, Frenking G. Are There Metal Oxides That Prefer a [2 + 2] Addition over a [3 + 2] Addition to Olefins? Theoretical Study of the Reaction Mechanism of LReO3 Addition (L = O-, Cl, Cp) to Ethylene1 Journal of the American Chemical Society. 121: 2021-2031. DOI: 10.1021/Ja9829362  0.306
1999 Frenking G, Boehme C, Pidun U. The electronic structure of transition metal compounds Theoretical and Computational Chemistry. 6: 555-570. DOI: 10.1016/S1380-7323(99)80023-5  0.399
1999 Lupinetti AJ, Jonas V, Thiel W, Strauss SH, Frenking G. Trends in Molecular Geometries and Bond Strengths of the Homoleptic d10 Metal Carbonyl Cations [M(CO)n]x+ (Mx+=Cu+, Ag+, Au+, Zn2+, Cd2+, Hg2+;n=1-6): A Theoretical Study Chemistry - a European Journal. 5: 2573-2583. DOI: 10.1002/(Sici)1521-3765(19990903)5:9<2573::Aid-Chem2573>3.0.Co;2-J  0.441
1999 Boehme C, Frenking G. The Nature of the Gallium–Iron Bond in [Ar*GaFe(CO)4] Chemistry: a European Journal. 5: 2184-2190. DOI: 10.1002/(Sici)1521-3765(19990702)5:7<2184::Aid-Chem2184>3.0.Co;2-3  0.395
1999 Karl M, Harms K, Seybert G, Massa W, Fau S, Frenking G, Dehnicke K. Die Deprotonierung silylierter Amido-Komplexe von Seltenerdelementen Zeitschrift FüR Anorganische Und Allgemeine Chemie. 625: 2055-2063. DOI: 10.1002/(Sici)1521-3749(199912)625:12<2055::Aid-Zaac2055>3.0.Co;2-Y  0.359
1999 Schlecht S, Deubel DV, Frenking G, Geiseler G, Harms K, Magull J, Dehnicke K. Phosphaniminato-Komplexe von Rhenium(VII). Synthesen und Kristallstrukturen von [ReO3(NPR3)] (R = Ph, Et) sowie von [ReO(OSiMe3)3(Me3SiNPEt3)] Zeitschrift FüR Anorganische Und Allgemeine Chemie. 625: 887-891. DOI: 10.1002/(Sici)1521-3749(199906)625:6<887::Aid-Zaac887>3.0.Co;2-S  0.328
1999 Beste A, Krämer O, Gerhard A, Frenking G. The Lewis Basicity of Diaminocarbene – A Theoretical Study of Donor–Acceptor Complexes of C(NH2)2, NH3 and CO with the Lewis Acids EF3, ECl3 (E = B, Al, Ga, In), TiF4 and TiCl4 European Journal of Inorganic Chemistry. 1999: 2037-2045. DOI: 10.1002/(Sici)1099-0682(199911)1999:11<2037::Aid-Ejic2037>3.0.Co;2-T  0.463
1998 Lupinetti AJ, Frenking G, Strauss SH. Nonclassical Metal Carbonyls: Appropriate Definitions with a Theoretical Justification. Angewandte Chemie (International Ed. in English). 37: 2113-2116. PMID 29711060 DOI: 10.1002/(Sici)1521-3773(19980817)37:15<2113::Aid-Anie2113>3.0.Co;2-2  0.353
1998 Boehme C, Frenking G. N-Heterocyclic Carbene, Silylene, and Germylene Complexes of MCl (M = Cu, Ag, Au). A Theoretical Study1 Organometallics. 17: 5801-5809. DOI: 10.1021/Om980394R  0.468
1998 Stegmann R, Frenking G. Mechanism of the Acetylene−Vinylidene Rearrangement in the Coordination Sphere of a Transition Metal1 Organometallics. 17: 2089-2095. DOI: 10.1021/Om980137M  0.398
1998 Fischer RA, Schulte MM, Weiss J, Zsolnai L, Jacobi A, Huttner G, Frenking G, Boehme C, Vyboishchikov SF. Transition metal coordinated Al(X)L2 and Ga(X)L2 fragments Journal of the American Chemical Society. 120: 1237-1248. DOI: 10.1021/Ja9716463  0.358
1998 Wagener T, Frenking G. Theoretical Study Of Transition Metal Compounds With Molybdenum- And Tungsten-Phosphorus Triple Bonds Inorganic Chemistry. 37: 1805-1811. DOI: 10.1021/Ic971139M  0.428
1998 Vyboishchikov SF, Frenking G. Structure and Bonding of Low‐Valent (Fischer‐Type) and High‐Valent (Schrock‐Type) Transition Metal Carbene Complexes Chemistry: a European Journal. 4: 1428-1438. DOI: 10.1002/(Sici)1521-3765(19980807)4:8<1428::Aid-Chem1428>3.0.Co;2-7  0.441
1998 Pidun U, Frenking G. Hrh(Co)4-Catalyzed Hydrogenation Of Co : A Systematic Ab Initio Quantum-Chemical Investigation Of The Reaction Mechanism Chemistry: a European Journal. 4: 522-540. DOI: 10.1002/(Sici)1521-3765(19980310)4:3<522::Aid-Chem522>3.0.Co;2-3  0.379
1998 Schlecht S, Faza N, Massa W, Dapprich S, Frenking G, Dehnicke K. Trans-methyl-azido-bis(triisopropylphosphin)platin(II), [PtN3(CH3)(PiPr3)2] Zeitschrift FüR Anorganische Und Allgemeine Chemie. 624: 1011-1014. DOI: 10.1002/(Sici)1521-3749(199806)624:6<1011::Aid-Zaac1011>3.0.Co;2-M  0.312
1998 Dapprich S, Frenking G. Transition Metal Complexes with more than one Dihydrogen Ligand: Structure and Bonding of M(CO)6–x(H2)x (M = Cr, Mo, W; x = 1, 2, 3) [1] Zeitschrift FüR Anorganische Und Allgemeine Chemie. 624: 583-589. DOI: 10.1002/(Sici)1521-3749(199804)624:4<583::Aid-Zaac583>3.0.Co;2-P  0.307
1997 Stahl M, Schopfer U, Frenking G, Hoffmann RW. Calculation of 13C NMR chemical shifts and coupling constants for the analysis of conformer populations and relative configuration in flexible molecules Molecular Physics. 92: 569-579. DOI: 10.1080/002689797170310  0.327
1997 Frenking G, Pidun U. Ab initio studies of transition-metal compounds: the nature of the chemical bond to a transition metal Journal of the Chemical Society-Dalton Transactions. 1653-1662. DOI: 10.1039/A700329C  0.338
1997 Szilagyi RK, Frenking G. Structure and Bonding of the Isoelectronic Hexacarbonyls [Hf(CO)6]2-, [Ta(CO)6]-, W(CO)6, [Re(CO)6]+, [Os(CO)6]2+, and [Ir(CO)6]3+:  A Theoretical Study1 Organometallics. 16: 4807-4815. DOI: 10.1021/Om970671E  0.677
1997 Ehlers AW, Frenking G, Baerends EJ. Structure and Bonding of the Noble Gas−Metal Carbonyl Complexes M(CO)5−Ng (M = Cr, Mo, W and Ng = Ar, Kr, Xe) Organometallics. 16: 4896-4902. DOI: 10.1021/Om9704962  0.399
1997 Fröhlich N, Pidun U, Stahl M, Frenking G. Carbenes as Pure Donor Ligands: Theoretical Study of Beryllium−Carbene Complexes1 Organometallics. 16: 442-448. DOI: 10.1021/Om960752V  0.424
1997 Schmid R, Herrmann WA, Frenking G. Coordination Chemistry and Mechanisms of Metal-Catalyzed CC-Coupling Reactions. 10.†Ligand Dissociation in Rhodium-Catalyzed Hydroformylation:  A Theoretical Study‡ Organometallics. 16: 701-708. DOI: 10.1021/Om960562K  0.398
1997 Lupinetti AJ, Fau S, Frenking G, Strauss SH. Theoretical analysis of the bonding between CO and positively charged atoms Journal of Physical Chemistry A. 101: 9551-9559. DOI: 10.1021/Jp972657L  0.418
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