| Year |
Citation |
Score |
| 2023 |
Poater J, Escayola S, Poater A, Teixidor F, Ottosson H, Viñas C, Solà M. Single─Not Double─3D-Aromaticity in an Oxidized Icosahedral Dodecaiodo-Dodecaborate Cluster. Journal of the American Chemical Society. 145: 22527-22538. PMID 37728951 DOI: 10.1021/jacs.3c07335 |
0.781 |
|
| 2023 |
Poater J, Viñas C, Escayola S, Solà M, Teixidor F. Pioneering the Power of Twin Bonds in a Revolutionary Double Bond Formation. Unveiling the True Identity of o-Carboryne as o-Carborene. Chemistry (Weinheim An Der Bergstrasse, Germany). e202302448. PMID 37702301 DOI: 10.1002/chem.202302448 |
0.771 |
|
| 2023 |
Poater J, Vermeeren P, Hamlin TA, Bickelhaupt FM, Solà M. On the existence of collective interactions reinforcing the metal-ligand bond in organometallic compounds. Nature Communications. 14: 3872. PMID 37400461 DOI: 10.1038/s41467-023-39498-y |
0.474 |
|
| 2023 |
Anglada JM, Poater J, Moreira IPR, Bofill JM. Controlling the Diradical Character of Thiele Like Compounds. The Journal of Organic Chemistry. PMID 37339010 DOI: 10.1021/acs.joc.3c00482 |
0.308 |
|
| 2023 |
Sun F, Tan S, Cao HJ, Lu CS, Tu D, Poater J, Solà M, Yan H. Facile Construction of New Hybrid Conjugation via Boron Cage Extension. Journal of the American Chemical Society. PMID 36744315 DOI: 10.1021/jacs.2c12526 |
0.493 |
|
| 2022 |
Posada-Pérez S, Escayola S, Poater J, Solà M, Poater A. Ni(I)-TPA stabilization by hydrogen bond formation on the second coordination sphere: a DFT characterization. Dalton Transactions (Cambridge, England : 2003). PMID 35924789 DOI: 10.1039/d2dt01355j |
0.766 |
|
| 2022 |
Poater J, Viñas C, Solà M, Teixidor F. 3D and 2D aromatic units behave like oil and water in the case of benzocarborane derivatives. Nature Communications. 13: 3844. PMID 35788134 DOI: 10.1038/s41467-022-31267-7 |
0.405 |
|
| 2022 |
Poater J, Viñas C, Olid D, Solà M, Teixidor F. Aromaticity and Extrusion of Benzenoids Linked to [o-COSAN] : Clar Has the Answer. Angewandte Chemie (International Ed. in English). e202200672. PMID 35176201 DOI: 10.1002/anie.202200672 |
0.419 |
|
| 2022 |
Poater J, Andrada DM, Solà M, Foroutan-Nejad C. Path-dependency of energy decomposition analysis & the elusive nature of bonding. Physical Chemistry Chemical Physics : Pccp. 24: 2344-2348. PMID 35018916 DOI: 10.1039/d1cp04135e |
0.452 |
|
| 2021 |
Tu D, Li J, Sun F, Yan H, Poater J, Solà M. Cage···Cage Interaction: Boron Cluster-Based Noncovalent Bond and Its Applications in Solid-State Materials. Jacs Au. 1: 2047-2057. PMID 34841417 DOI: 10.1021/jacsau.1c00348 |
0.483 |
|
| 2020 |
Jian J, Hammink R, McKenzie C, Bickelhaupt FM, Poater J, Mecinovic J. Do sulfonamides interact with aromatic rings? Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 33377554 DOI: 10.1002/chem.202004732 |
0.309 |
|
| 2020 |
Jian J, Poater J, Hammink R, Tinnemans P, McKenzie CJ, Bickelhaupt FM, Mecinović J. Through-Space Polar-π Interactions in 2,6-Diarylthiophenols. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 21: 1080. PMID 32496661 DOI: 10.1002/Cphc.202000414 |
0.321 |
|
| 2020 |
Islas R, Inostroza D, Arias-Olivares D, Zúñiga-Gutiérrez B, Poater J, Solà M. Analysis of the electronic delocalization in some isoelectronic analogues of B doped with beryllium and/or carbon. Physical Chemistry Chemical Physics : Pccp. PMID 32432256 DOI: 10.1039/D0Cp01844A |
0.57 |
|
| 2020 |
Mboyi CD, Poater A, Poater J, Duhayon C, Chauvin R. Cyclopropenylidenephosphoranes: Rearrangement to Azetidinylidene-Methylphosphoniums. The Journal of Organic Chemistry. PMID 32391694 DOI: 10.1021/Acs.Joc.0C00847 |
0.546 |
|
| 2020 |
Poater J, Viñas C, Bennour I, Escayola S, Solà M, Teixidor F. Too Persistent to Give Up: Aromaticity in Boron Clusters Survives Radical Structural Changes. Journal of the American Chemical Society. PMID 32323984 DOI: 10.1021/Jacs.0C02228 |
0.798 |
|
| 2020 |
Jian J, Poater J, Hammink R, Tinnemans P, McKenzie C, Bickelhaupt FM, Mecinović J. Through-Space Polar-π Interactions in 2,6-Diarylthiophenols. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 32253802 DOI: 10.1002/Cphc.202000132 |
0.383 |
|
| 2020 |
Yan H, Tu D, Poater J, Solà M. nido-Cage···π Bond: A Non-covalent Interaction between Boron Clusters and Aromatic Rings and Its Applications. Angewandte Chemie (International Ed. in English). PMID 32115790 DOI: 10.1002/Anie.201915290 |
0.594 |
|
| 2020 |
Ramos M, Poater J, Villegas-Escobar N, Gimferrer M, Toro-Labbé A, Cavallo L, Poater A. Phenoxylation of Alkynes through Mono- and Dual Activation Using Group 11 (Cu, Ag, Au) Catalysts European Journal of Inorganic Chemistry. 2020: 1123-1134. DOI: 10.1002/Ejic.201901220 |
0.475 |
|
| 2019 |
Narsaria AK, Poater J, Fonseca Guerra C, Ehlers AW, Hamlin TA, Lammertsma K, Bickelhaupt FM. Distortion-Controlled Red-Shift of Organic Dye Molecules. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31815315 DOI: 10.1002/Chem.201905355 |
0.34 |
|
| 2019 |
Ramler J, Poater J, Hirsch F, Ritschel B, Fischer I, Bickelhaupt FM, Lichtenberg C. Carbon monoxide insertion at a heavy p-block element: unprecedented formation of a cationic bismuth carbamoyl. Chemical Science. 10: 4169-4176. PMID 31057745 DOI: 10.1039/C9Sc00278B |
0.397 |
|
| 2019 |
Poater J, Solà M. Open-shell jellium aromaticity in metal clusters. Chemical Communications (Cambridge, England). PMID 30997449 DOI: 10.1039/C9Cc02067E |
0.521 |
|
| 2019 |
Bosmans V, Poater J, Hammink R, Tinnemans P, Bickelhaupt FM, Mecinović J. Probing Through-Space Polar-π Interactions in 2,6-Diarylphenols. The Journal of Organic Chemistry. PMID 30794409 DOI: 10.1021/Acs.Joc.8B03147 |
0.33 |
|
| 2018 |
Narsaria AK, Poater J, Fonseca Guerra C, Ehlers AW, Lammertsma K, Bickelhaupt FM. Rational design of near-infrared absorbing organic dyes: Controlling the HOMO-LUMO gap using quantitative molecular orbital theory. Journal of Computational Chemistry. 39: 2690-2696. PMID 30515900 DOI: 10.1002/Jcc.25731 |
0.347 |
|
| 2018 |
Poater J, Duran M, Solà M. Aromaticity Determines the Relative Stability of Kinked vs. Straight Topologies in Polycyclic Aromatic Hydrocarbons. Frontiers in Chemistry. 6: 561. PMID 30515378 DOI: 10.3389/Fchem.2018.00561 |
0.557 |
|
| 2018 |
Poater J, Gimferrer M, Poater A. Covalent and Ionic Capacity of MOFs To Sorb Small Gas Molecules. Inorganic Chemistry. 57: 6981-6990. PMID 29799198 DOI: 10.1021/Acs.Inorgchem.8B00670 |
0.551 |
|
| 2018 |
Ritschel B, Poater J, Dengel H, Bickelhaupt FM, Lichtenberg C. Double CH Activation of a Masked Cationic Bismuth Amide. Angewandte Chemie (International Ed. in English). 57: 3825-3829. PMID 29389062 DOI: 10.1002/Anie.201712725 |
0.343 |
|
| 2018 |
El Bakouri O, Solà M, Poater J. Correction: Planar vs. three-dimensional X62-, X2Y42-, and X3Y32- (X, Y = B, Al, Ga) metal clusters: an analysis of their relative energies through the turn-upside-down approach. Physical Chemistry Chemical Physics : Pccp. 20: 3845-3846. PMID 29359780 DOI: 10.1039/c8cp90017e |
0.407 |
|
| 2017 |
Simó Padial J, Poater J, Nguyen DT, Tinnemans P, Bickelhaupt FM, Mecinovic J. Stabilization of 2,6-Diarylanilinum Cation by Through-Space Cation-π Interactions. The Journal of Organic Chemistry. PMID 28836782 DOI: 10.1021/Acs.Joc.7B01406 |
0.383 |
|
| 2017 |
Orenha RP, Rocha MVJ, Poater J, Galembeck SE, Bickelhaupt FM. Nature of the Ru-NO Coordination Bond: Kohn-Sham Molecular Orbital and Energy Decomposition Analysis. Chemistryopen. 6: 410-416. PMID 28638774 DOI: 10.1002/Open.201700028 |
0.403 |
|
| 2017 |
Hamlin TA, Poater J, Fonseca Guerra C, Bickelhaupt FM. B-DNA model systems in non-terran bio-solvents: implications for structure, stability and replication. Physical Chemistry Chemical Physics : Pccp. PMID 28497822 DOI: 10.1039/C7Cp01908D |
0.315 |
|
| 2017 |
Vásquez-Espinal A, Poater J, Solà M, Tiznado W, Islas R. Testing the effectiveness of the isoelectronic substitution principle through the transformation of aromatic osmathiophene derivatives into their inorganic analogues New Journal of Chemistry. 41: 1168-1178. DOI: 10.1039/C6Nj02972H |
0.502 |
|
| 2017 |
Poater J, Paauwe J, Pan S, Merino G, Guerra CF, Bickelhaupt F. Kekulene: Structure, stability and nature of H•••H interactions in large PAHs Molecular Astrophysics. 8: 19-26. DOI: 10.1016/J.Molap.2017.05.003 |
0.358 |
|
| 2016 |
Arnold N, Bertermann R, Bickelhaupt M, Braunschweig H, Drisch M, Finze M, Hupp F, Poater J, Sprenger J. Formation of a Trifluorophosphane Platinum(II) Complex via P-F Bond Activation of Phosphorus Pentafluoride with a Pt(0) Complex. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27813174 DOI: 10.1002/Chem.201604997 |
0.365 |
|
| 2016 |
Poater J, Solà M, Viñas C, Teixidor F. Hückel's Rule of Aromaticity Categorizes Aromatic closo Boron Hydride Clusters. Chemistry (Weinheim An Der Bergstrasse, Germany). 22: 7437-43. PMID 27120297 DOI: 10.1002/Chem.201600510 |
0.531 |
|
| 2016 |
El Bakouri O, Solà M, Poater J. Planar vs. three-dimensional X6(2-), X2Y4(2-), and X3Y3(2-) (X, Y = B, Al, Ga) metal clusters: an analysis of their relative energies through the turn-upside-down approach. Physical Chemistry Chemical Physics : Pccp. 18: 21102-10. PMID 27020701 DOI: 10.1039/C6Cp01109H |
0.528 |
|
| 2016 |
Martínez JP, Garcia-Borràs M, Osuna S, Poater J, Bickelhaupt FM, Solà M. Reaction Mechanism and Regioselectivity of the Bingel-Hirsch Addition of Dimethyl Bromomalonate to La@C2v -C82. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26991842 DOI: 10.1002/Chem.201504668 |
0.681 |
|
| 2016 |
El-Hamdi M, Solà M, Poater J, Timoshkin AY. Complexes of adamantane-based group 13 Lewis acids and superacids: Bonding analysis and thermodynamics of hydrogen splitting. Journal of Computational Chemistry. 37: 1355-62. PMID 26931238 DOI: 10.1002/Jcc.24328 |
0.546 |
|
| 2016 |
El Bakouri O, Poater J, Feixas F, Solà M. Exploring the validity of the Glidewell–Lloyd extension of Clar’s π-sextet rule: assessment from polycyclic conjugated hydrocarbons Theoretical Chemistry Accounts. 135. DOI: 10.1007/S00214-016-1970-1 |
0.733 |
|
| 2016 |
Ehbets J, Lorenzen S, Mahler C, Bertermann R, Berkefeld A, Poater J, Fritz-Langhals E, Weidner R, Bickelhaupt FM, Tacke R. Synthesis and Hydrolysis of Alkoxy(aminoalkyl)diorganylsilanes of the Formula Type R2(RO)Si(CH2)nNH2 (R = Alkyl, n = 1-3): A Systematic Experimental and Computational Study European Journal of Inorganic Chemistry. DOI: 10.1002/Ejic.201600077 |
0.301 |
|
| 2016 |
Poater J, Solà M, Viñas C, Teixidor F. Back Cover: Hückel's Rule of Aromaticity Categorizes Aromatic closo
Boron Hydride Clusters (Chem. Eur. J. 22/2016) Chemistry - a European Journal. 22: 7644-7644. DOI: 10.1002/Chem.201601248 |
0.513 |
|
| 2015 |
El Bakouri O, Duran M, Poater J, Feixas F, Solà M. Octahedral aromaticity in (2S+1)A1g X6(q) clusters (X = Li-C and Be-Si, S = 0-3, and q = -2 to +4). Physical Chemistry Chemical Physics : Pccp. PMID 26689394 DOI: 10.1039/C5Cp07011B |
0.735 |
|
| 2015 |
Zanuy D, Poater J, Solà M, Hamley IW, Alemán C. Fmoc-RGDS based fibrils: atomistic details of their hierarchical assembly. Physical Chemistry Chemical Physics : Pccp. PMID 26659906 DOI: 10.1039/C5Cp04269K |
0.539 |
|
| 2015 |
Mück FM, Kloß D, Baus JA, Burschka C, Bertermann R, Poater J, Fonseca Guerra C, Bickelhaupt FM, Tacke R. Stable Four-Coordinate Guanidinatosilicon(IV) Complexes with SiN3 El Skeletons (El=S, Se, Te) and SiEl Double Bonds. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26284318 DOI: 10.1002/Chem.201501789 |
0.353 |
|
| 2015 |
Feixas F, Matito E, Poater J, Solà M. Quantifying aromaticity with electron delocalisation measures. Chemical Society Reviews. 44: 6434-51. PMID 25858673 DOI: 10.1039/C5Cs00066A |
0.803 |
|
| 2015 |
Lepetit C, Poater J, Alikhani ME, Silvi B, Canac Y, Contreras-García J, Solà M, Chauvin R. The missing entry in the agostic-anagostic series: Rh(I)-η(1)-C interactions in P(CH)P pincer complexes. Inorganic Chemistry. 54: 2960-9. PMID 25714128 DOI: 10.1021/Acs.Inorgchem.5B00069 |
0.523 |
|
| 2015 |
Turias F, Poater J, Chauvin R, Poater A. How carbo-benzenes fit molecules in their inner core as do biologic ion carriers? Structural Chemistry. 27: 249-259. DOI: 10.1007/S11224-015-0672-Y |
0.635 |
|
| 2015 |
Szatylowicz H, Krygowski TM, Solà M, Palusiak M, Dominikowska J, Stasyuk OA, Poater J. Why 1,2-quinone derivatives are more stable than their 2,3-analogues? Theoretical Chemistry Accounts. 134. DOI: 10.1007/S00214-015-1635-5 |
0.559 |
|
| 2014 |
Poater J, Solà M, Viñas C, Teixidor F. π aromaticity and three-dimensional aromaticity: two sides of the same coin? Angewandte Chemie (International Ed. in English). 53: 12191-5. PMID 25223923 DOI: 10.1002/Anie.201407359 |
0.564 |
|
| 2014 |
Poater J, Swart M, Bickelhaupt FM, Fonseca Guerra C. B-DNA structure and stability: the role of hydrogen bonding, π-π stacking interactions, twist-angle, and solvation. Organic & Biomolecular Chemistry. 12: 4691-700. PMID 24871817 DOI: 10.1039/C4Ob00427B |
0.361 |
|
| 2014 |
Islas R, Poater J, Solà M. Analysis of the Aromaticity of Five-Membered Heterometallacycles Containing Os, Ru, Rh, and Ir Organometallics. 33: 1762-1773. DOI: 10.1021/Om500119C |
0.534 |
|
| 2014 |
Córdova-Mateo E, Poater J, Teixeira-Dias B, Bertran O, Estrany F, del Valle LJ, Solà M, Alemán C. Electroactive polymers for the detection of morphine Journal of Polymer Research. 21. DOI: 10.1007/S10965-014-0565-6 |
0.47 |
|
| 2014 |
Poater J, Solà M, Alkorta I, Elguero J. Aromaticity and Magnetic Properties of 1- and 2-Indenones and Their Aza Derivatives European Journal of Organic Chemistry. 2014: 5370-5377. DOI: 10.1002/Ejoc.201402509 |
0.452 |
|
| 2013 |
Díaz-Cervantes E, Poater J, Robles J, Swart M, Solà M. Unraveling the origin of the relative stabilities of group 14 M 2N2 2+ (M, N = C, Si, Ge, Sn, and Pb) isomer clusters Journal of Physical Chemistry A. 117: 10462-10469. PMID 24003994 DOI: 10.1021/Jp406071D |
0.555 |
|
| 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 |
0.532 |
|
| 2013 |
El-Hamdi M, Poater J, Bickelhaupt FM, Solà M. X2Y2 isomers: tuning structure and relative stability through electronegativity differences (X = H, Li, Na, F, Cl, Br, I; Y = O, S, Se, Te). Inorganic Chemistry. 52: 2458-65. PMID 23421520 DOI: 10.1021/Ic3023503 |
0.507 |
|
| 2013 |
Poater J, Solà M, Viñas C, Teixidor F. A simple link between hydrocarbon and borohydride chemistries. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 4169-75. PMID 23418029 DOI: 10.1002/Chem.201204397 |
0.533 |
|
| 2013 |
Zborowski K, Solá M, Poater J, Proniewicz L. Aromatic properties of 8-hydroxyquinoline and its metal complexes Open Chemistry. 11: 655-663. DOI: 10.2478/S11532-013-0215-6 |
0.56 |
|
| 2013 |
Zanuy D, Teixeira-Dias B, Del Valle LJ, Poater J, Solà M, Alemán C. Examining the formation of specific interactions between poly(3,4-ethylenedioxythiophene) and nucleotide bases Rsc Advances. 3: 2639-2649. DOI: 10.1039/C2Ra22640E |
0.519 |
|
| 2013 |
El-Hamdi M, El Bakouri El Farri O, Salvador P, Abdelouahid BA, El Begrani MS, Poater J, Solà M. Analysis of the relative stabilities of ortho, meta, and para MClY(XC 4H4)(PH3)2 heterometallabenzenes (M = Rh, Ir; X = N, P; Y = Cl and M = Ru, Os; X = N, P; Y = CO) Organometallics. 32: 4892-4903. DOI: 10.1021/Om400629W |
0.519 |
|
| 2013 |
Poater J, Solà M, Viñas C, Teixidor F. Back Cover: A Simple Link between Hydrocarbon and Borohydride Chemistries (Chem. Eur. J. 13/2013) Chemistry - a European Journal. 19: 4372-4372. DOI: 10.1002/Chem.201390044 |
0.473 |
|
| 2012 |
Islas R, Poater J, Matito E, Solà M. Molecular structures of M2N2(2-) (M and N = B, Al, and Ga) clusters using the gradient embedded genetic algorithm. Physical Chemistry Chemical Physics : Pccp. 14: 14850-9. PMID 22990879 DOI: 10.1039/C2Cp42210G |
0.701 |
|
| 2012 |
Casanovas J, Aradilla D, Poater J, Solà M, Estrany F, Alemán C. Properties of poly(3-halidethiophene)s. Physical Chemistry Chemical Physics : Pccp. 14: 10050-62. PMID 22699749 DOI: 10.1039/C2Cp40436B |
0.537 |
|
| 2012 |
Poater J, Swart M, Solà M. An assessment of the validity of the maximum hardness principle in chemical reactions Journal of the Mexican Chemical Society. 56: 311-315. DOI: 10.29356/Jmcs.V56I3.295 |
0.471 |
|
| 2012 |
Nuñez-Zarur F, Poater J, Rodríguez-Santiago L, Solans-Monfort X, Solà M, Sodupe M. On the electronic structure of second generation Hoveyda–Grubbs alkene metathesis precursors Computational and Theoretical Chemistry. 996: 57-67. DOI: 10.1016/J.Comptc.2012.07.015 |
0.606 |
|
| 2012 |
Poater J, Swart M, Guerra CF, Matthias Bickelhaupt F. Solvent effects on hydrogen bonds in Watson-Crick, mismatched, and modified DNA base pairs Computational and Theoretical Chemistry. 998: 57-63. DOI: 10.1016/J.Comptc.2012.06.003 |
0.356 |
|
| 2011 |
Poater J, Feixas F, Bickelhaupt FM, Solà M. All-metal aromatic clusters M4(2-) (M = B, Al, and Ga). Are π-electrons distortive or not? Physical Chemistry Chemical Physics : Pccp. 13: 20673-81. PMID 22011729 DOI: 10.1039/C1Cp22759A |
0.773 |
|
| 2011 |
Poater J, Solà M. Open-shell spherical aromaticity: the 2N2 + 2N + 1 (with S = N + ½) rule. Chemical Communications (Cambridge, England). 47: 11647-9. PMID 21952479 DOI: 10.1039/C1Cc14958J |
0.497 |
|
| 2011 |
El-Hamdi M, Tiznado W, Poater J, Solà M. An analysis of the isomerization energies of 1,2-/1,3-diazacyclobutadiene, pyrazole/imidazole, and pyridazine/pyrimidine with the turn-upside-down approach. The Journal of Organic Chemistry. 76: 8913-21. PMID 21951155 DOI: 10.1021/Jo201639K |
0.538 |
|
| 2011 |
Feixas F, Matito E, Poater J, Solà M. Understanding conjugation and hyperconjugation from electronic delocalization measures. The Journal of Physical Chemistry. A. 115: 13104-13. PMID 21932863 DOI: 10.1021/Jp205152N |
0.805 |
|
| 2011 |
Curutchet C, Poater J, Solà M, Elguero J. Analysis of the effects of N-substituents on some aspects of the aromaticity of imidazoles and pyrazoles. The Journal of Physical Chemistry. A. 115: 8571-7. PMID 21718013 DOI: 10.1021/Jp204263P |
0.541 |
|
| 2011 |
Rimola A, Alí-Torres J, Rodríguez-Rodríguez C, Poater J, Matito E, Solà M, Sodupe M. Ab initio design of chelating ligands relevant to Alzheimer's disease: influence of metalloaromaticity. The Journal of Physical Chemistry. A. 115: 12659-66. PMID 21699142 DOI: 10.1021/Jp203465H |
0.687 |
|
| 2011 |
Poater J, Swart M, Fonseca Guerra C, Bickelhaupt FM. Selectivity in DNA replication. Interplay of steric shape, hydrogen bonds, π-stacking and solvent effects. Chemical Communications (Cambridge, England). 47: 7326-8. PMID 21611661 DOI: 10.1039/C0Cc04707D |
0.31 |
|
| 2011 |
Solomon SA, Bickelhaupt FM, Layfield RA, Nilsson M, Poater J, Solà M. A donor-functionalized, silyl-substituted pentadienyllithium: structural insight from experiment and theory. Chemical Communications (Cambridge, England). 47: 6162-4. PMID 21519627 DOI: 10.1039/C1Cc11697E |
0.496 |
|
| 2011 |
Szatyłowicz H, Krygowski TM, Palusiak M, Poater J, Solà M. Routes of π-electron delocalization in 4-substituted-1,2-benzoquinones. The Journal of Organic Chemistry. 76: 550-6. PMID 21182269 DOI: 10.1021/Jo102065E |
0.587 |
|
| 2011 |
Teixeira-Dias B, Zanuy D, Poater J, Solà M, Estrany F, Del Valle LJ, Alemán C. Binding of 6-mer single-stranded homo-nucleotides to poly(3,4- ethylenedioxythiophene): Specific hydrogen bonds with guanine Soft Matter. 7: 9922-9932. DOI: 10.1039/C1Sm05856H |
0.56 |
|
| 2011 |
Feixas F, Matito E, Duran M, Poater J, Solà M. Aromaticity and electronic delocalization in all-metal clusters with single, double, and triple aromatic character Theoretical Chemistry Accounts. 128: 419-431. DOI: 10.1007/S00214-010-0805-8 |
0.804 |
|
| 2011 |
Matito E, Poater J, Sola M, von Rague Schleyer P. ChemInform Abstract: Aromaticity and Chemical Reactivity Cheminform. 42: no-no. DOI: 10.1002/CHIN.201115268 |
0.55 |
|
| 2010 |
Feixas F, Matito E, Solà M, Poater J. Patterns of pi-electron delocalization in aromatic and antiaromatic organic compounds in the light of Hückel's 4n + 2 rule. Physical Chemistry Chemical Physics : Pccp. 12: 7126-37. PMID 20485754 DOI: 10.1039/B924972A |
0.787 |
|
| 2010 |
Poater J, Casanovas J, Solà M, Alemán C. Examining the planarity of poly(3,4-ethylenedioxythiophene): consideration of self-rigidification, electronic, and geometric effects. The Journal of Physical Chemistry. A. 114: 1023-8. PMID 19954160 DOI: 10.1021/Jp908764S |
0.576 |
|
| 2010 |
Solà M, Feixas F, Jiménez-Halla JOC, Matito E, Poater J. A critical assessment of the performance of magnetic and electronic indices of aromaticity Symmetry. 2: 1156-1179. DOI: 10.3390/Sym2021156 |
0.807 |
|
| 2010 |
Feixas F, Jiménez-Halla JOC, Matito E, Poater J, Solà M. A test to evaluate the performance of aromaticity descriptors in all-metal and semimetal clusters. An appraisal of electronic and magnetic indicators of aromaticity Journal of Chemical Theory and Computation. 6: 1118-1130. DOI: 10.1021/Ct100034P |
0.792 |
|
| 2010 |
Guerra CF, van der Wijst T, Poater J, Swart M, Bickelhaupt FM. Adenine versus guanine quartets in aqueous solution: Dispersion-corrected DFT study on the differences in π-stacking and hydrogen-bonding behavior Theoretical Chemistry Accounts. 125: 245-252. DOI: 10.1007/S00214-009-0634-9 |
0.377 |
|
| 2010 |
Zborowski KK, Solà M, Poater J, Proniewicz LM. Theoretical studies on aromaticity of selected hydroxypyrones. Part 3#. Chelatoaromaticity phenomenon in metalcomplexes of hydroxypyrones Journal of Physical Organic Chemistry. 24: 499-506. DOI: 10.1002/Poc.1794 |
0.547 |
|
| 2009 |
Poater A, Saliner AG, Carbó-Dorca R, Poater J, Solà M, Cavallo L, Worth AP. Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine. Journal of Computational Chemistry. 30: 275-84. PMID 18615420 DOI: 10.1002/Jcc.21041 |
0.617 |
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| 2009 |
Blancafort L, Duran M, Poater J, Salvador P, Simon S, Solà M, Voityuk AA. Excess charge delocalization in organic and biological molecules: some theoretical notions Theoretical Chemistry Accounts. 123: 29-40. DOI: 10.1007/S00214-009-0538-8 |
0.515 |
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| 2009 |
Sulway SA, Girshfeld R, Solomon SA, Muryn CA, Poater J, Solà M, Bickelhaupt FM, Layfield RA. Alkali metal complexes of silyl-substituted ansa-(Tris)allyl ligands: Metal-, Co-Ligand- and substituent-dependent stereochemistry European Journal of Inorganic Chemistry. 4157-4167. DOI: 10.1002/Ejic.200900618 |
0.494 |
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| 2008 |
Feixas F, Matito E, Solà M, Poater J. Analysis of Hückel's [4n + 2] rule through electronic delocalization measures. The Journal of Physical Chemistry. A. 112: 13231-8. PMID 18834099 DOI: 10.1021/Jp803745F |
0.792 |
|
| 2008 |
Pierrefixe SC, Poater J, Im C, Bickelhaupt FM. Hypervalent versus nonhypervalent carbon in noble-gas complexes. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 6901-11. PMID 18576444 DOI: 10.1002/Chem.200800013 |
0.301 |
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| 2008 |
Feixas F, Matito E, Poater J, Solà M. On the performance of some aromaticity indices: a critical assessment using a test set. Journal of Computational Chemistry. 29: 1543-54. PMID 18270958 DOI: 10.1002/Jcc.20914 |
0.796 |
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| 2008 |
González P, Poater J, Merino G, Heine T, Solà M, Robles J. Chapter 10 Electronic structure and reactivity of aromatic metal clusters Theoretical and Computational Chemistry. 19: 203-218. DOI: 10.1016/S1380-7323(07)80011-2 |
0.561 |
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| 2007 |
Poater J, Bickelhaupt FM, Solà M. Didehydrophenanthrenes: structure, singlet-triplet splitting, and aromaticity. The Journal of Physical Chemistry. A. 111: 5063-70. PMID 17518454 DOI: 10.1021/Jp0714320 |
0.54 |
|
| 2007 |
Feixas F, Matito E, Poater J, Solà M. Aromaticity of distorted benzene rings: exploring the validity of different indicators of aromaticity. The Journal of Physical Chemistry. A. 111: 4513-21. PMID 17447743 DOI: 10.1021/Jp0703206 |
0.801 |
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| 2007 |
Poater J, Visser R, Solà M, Bickelhaupt FM. Polycyclic benzenoids: why kinked is more stable than straight. The Journal of Organic Chemistry. 72: 1134-42. PMID 17288368 DOI: 10.1021/Jo061637P |
0.557 |
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| 2007 |
Matxain JM, Eriksson LA, Mercero JM, Lopez X, Piris M, Ugalde JM, Poater J, Matito E, Solà M. New Solids Based on B12N12Fullerenes The Journal of Physical Chemistry C. 111: 13354-13360. DOI: 10.1021/Jp073773J |
0.604 |
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| 2007 |
Alonso M, Poater J, Solà M. Aromaticity changes along the reaction coordinate connecting the cyclobutadiene dimer to cubane and the benzene dimer to hexaprismane Structural Chemistry. 18: 773-783. DOI: 10.1007/S11224-007-9240-4 |
0.549 |
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| 2006 |
Huertas O, Poater J, Fuentes-Cabrera M, Orozco M, Solà M, Luque FJ. Local aromaticity in natural nucleobases and their size-expanded benzo-fused derivatives. The Journal of Physical Chemistry. A. 110: 12249-58. PMID 17078622 DOI: 10.1021/Jp063790T |
0.574 |
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| 2006 |
Güell M, Matito E, Luis JM, Poater J, Solà M. Analysis of electron delocalization in aromatic systems: individual molecular orbital contributions to para-delocalization indexes (PDI). The Journal of Physical Chemistry. A. 110: 11569-74. PMID 17020271 DOI: 10.1021/Jp0631329 |
0.723 |
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| 2006 |
Matito E, Poater J, Bickelhaupt FM, Solà M. Bonding in methylalkalimetals (CH(3)M)(n) (M = Li, Na, K; n = 1, 4). Agreement and divergences between AIM and ELF analyses. The Journal of Physical Chemistry. B. 110: 7189-98. PMID 16599485 DOI: 10.1021/Jp057517N |
0.716 |
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| 2006 |
Poater J, Solà M, Bickelhaupt FM. A model of the chemical bond must be rooted in quantum mechanics, provide insight, and possess predictive power. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 2902-5. PMID 16528769 DOI: 10.1002/Chem.200600057 |
0.542 |
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| 2006 |
Poater J, Solà M, Bickelhaupt FM. Hydrogen-hydrogen bonding in planar biphenyl, predicted by atoms-in-molecules theory, does not exist. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 2889-95. PMID 16528767 DOI: 10.1002/Chem.200500850 |
0.554 |
|
| 2006 |
Poater A, Moradell S, Pinilla E, Poater J, Solà M, Martínez MA, Llobet A. A trinuclear Pt(II) compound with short Pt-Pt-Pt contacts. An analysis of the influence of pi-pi stacking interactions on the strength and length of the Pt-Pt bond. Dalton Transactions (Cambridge, England : 2003). 1188-96. PMID 16482356 DOI: 10.1039/B511625M |
0.629 |
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| 2006 |
Poater J, Bofill JM, Alemany P, Solà M. Role of electron density and magnetic couplings on the nucleus-independent chemical shift (NICS) profiles of [2.2]paracyclophane and related species. The Journal of Organic Chemistry. 71: 1700-2. PMID 16468827 DOI: 10.1021/Jo052095Z |
0.571 |
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| 2006 |
Matito E, Poater J, Duran M, Solà M. Electron fluctuation in pericyclic and pseudopericyclic reactions. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 111-3. PMID 16317796 DOI: 10.1002/Cphc.200500446 |
0.671 |
|
| 2006 |
Osuna S, Poater J, Bofill JM, Alemany P, Solà M. Are nucleus-independent (NICS) and 1H NMR chemical shifts good indicators of aromaticity in π-stacked polyfluorenes? Chemical Physics Letters. 428: 191-195. DOI: 10.1016/J.Cplett.2006.06.109 |
0.533 |
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| 2005 |
Poater J, Bofill JM, Alemany P, Solà M. Local aromaticity of the lowest-lying singlet States of [N]acenes (N = 6-9). The Journal of Physical Chemistry. A. 109: 10629-32. PMID 16863110 DOI: 10.1021/Jp055188T |
0.543 |
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| 2005 |
Matito E, Solà M, Duran M, Poater J. Comment on the "Nature of bonding in the thermal cyclization of (Z)-1,2,4,6-heptatetraene and its heterosubstituted analogues". The Journal of Physical Chemistry. B. 109: 7591-3; discussion 7. PMID 16851874 DOI: 10.1021/Jp048033E |
0.682 |
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| 2005 |
Matito E, Poater J, Solà M, Duran M, Salvador P. Comparison of the AIM delocalization index and the Mayer and fuzzy atom bond orders. The Journal of Physical Chemistry. A. 109: 9904-10. PMID 16833307 DOI: 10.1021/Jp0538464 |
0.711 |
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| 2005 |
Güell M, Poater J, Luis JM, Mó O, Yáñez M, Solà M. Aromaticity analysis of lithium cation/pi complexes of aromatic systems. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 2552-61. PMID 16294351 DOI: 10.1002/Cphc.200500216 |
0.574 |
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| 2005 |
Poater J, Duran M, Solà M, Silvi B. Theoretical evaluation of electron delocalization in aromatic molecules by means of atoms in molecules (AIM) and electron localization function (ELF) topological approaches. Chemical Reviews. 105: 3911-47. PMID 16218571 DOI: 10.1021/Cr030085X |
0.551 |
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| 2005 |
Illescas BM, Martín N, Poater J, Solà M, Aguado GP, Ortuño RM. Diastereoselective synthesis of fulleropyrrolidines from suitably functionalized chiral cyclobutanes. The Journal of Organic Chemistry. 70: 6929-32. PMID 16095318 DOI: 10.1021/Jo0509197 |
0.449 |
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| 2005 |
Portella G, Poater J, Bofill JM, Alemany P, Solà M. Local aromaticity of [n]acenes, [n]phenacenes, and [n]helicenes (n = 1-9). The Journal of Organic Chemistry. 70: 2509-21. PMID 15787537 DOI: 10.1021/Jo0480388 |
0.519 |
|
| 2005 |
Poater J, Sodupe M, Bertran * J, Solà * M. Hydrogen bonding and aromaticity in the guanine–cytosine base pair interacting with metal cations (M = Cu+, Ca2+and Cu2+) Molecular Physics. 103: 163-173. DOI: 10.1080/00268920512331316238 |
0.375 |
|
| 2005 |
Matito E, Solà M, Duran M, Poater J, Chamorro EE. Comment on the "Nature of bonding in the thermal cyclization of (Z)-l,2,4,6-heptatetraene and Its heterosubstituted analogues" Journal of Physical Chemistry B. 109: 7591-7595. DOI: 10.1021/jp048033e |
0.557 |
|
| 2005 |
Matito E, Poater J, Duran M, Solà M. An analysis of the changes in aromaticity and planarity along the reaction path of the simplest Diels–Alder reaction. Exploring the validity of different indicators of aromaticity Journal of Molecular Structure: Theochem. 727: 165-171. DOI: 10.1016/J.Theochem.2005.02.020 |
0.688 |
|
| 2005 |
Kalaiselvan A, Venuvanalingam P, Poater J, Solà M. Ab initio and DFT modeling of stereoselective deamination of aziridines by nitrosyl chloride International Journal of Quantum Chemistry. 102: 139-146. DOI: 10.1002/Qua.20364 |
0.509 |
|
| 2005 |
Portella G, Poater J, Solà M. Assessment of Clar's aromatic π-sextet rule by means of PDI, NICS and HOMA indicators of local aromaticity Journal of Physical Organic Chemistry. 18: 785-791. DOI: 10.1002/Poc.938 |
0.565 |
|
| 2004 |
Poater J, Solà M, Viglione RG, Zanasi R. Local aromaticity of the six-membered rings in pyracylene. A difficult case for the NICS indicator of aromaticity. The Journal of Organic Chemistry. 69: 7537-42. PMID 15497979 DOI: 10.1021/Jo048988T |
0.555 |
|
| 2004 |
Krygowski TM, Ejsmont K, Stepień BT, Cyrański MK, Poater J, Solà M. Relation between the substituent effect and aromaticity. The Journal of Organic Chemistry. 69: 6634-40. PMID 15387585 DOI: 10.1021/Jo0492113 |
0.586 |
|
| 2004 |
Poater J, García-Cruz I, Illas F, Solà M. Discrepancy between common local aromaticity measures in a series of carbazole derivatives Phys. Chem. Chem. Phys.. 6: 314-318. DOI: 10.1039/B309965B |
0.568 |
|
| 2004 |
Poater J, Solà M, Rimola A, Rodríguez-Santiago L, Sodupe M. Ground and Low-Lying States of Cu2+−H2O. A Difficult Case for Density Functional Methods The Journal of Physical Chemistry A. 108: 6072-6078. DOI: 10.1021/Jp0487657 |
0.473 |
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| 2004 |
Poater J, Duran M, Solà M. Analysis of electronic delocalization in buckminsterfullerene (C60) International Journal of Quantum Chemistry. 98: 361-366. DOI: 10.1002/Qua.20071 |
0.558 |
|
| 2003 |
Poater J, Fradera X, Duran M, Solà M. An insight into the local aromaticities of polycyclic aromatic hydrocarbons and fullerenes. Chemistry (Weinheim An Der Bergstrasse, Germany). 9: 1113-22. PMID 12596147 DOI: 10.1002/Chem.200390128 |
0.527 |
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| 2003 |
Poater J, Fradera X, Duran M, Solà M. The delocalization index as an electronic aromaticity criterion: application to a series of planar polycyclic aromatic hydrocarbons. Chemistry (Weinheim An Der Bergstrasse, Germany). 9: 400-6. PMID 12532288 DOI: 10.1002/Chem.200390041 |
0.595 |
|
| 2003 |
Poater J, Van Lenthe E, Baerends EJ. Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory Journal of Chemical Physics. 118: 8584-8593. DOI: 10.1063/1.1567252 |
0.53 |
|
| 2003 |
Poater J, Fradera X, Solà M, Duran M, Simon S. On the electron-pair nature of the hydrogen bond in the framework of the atoms in molecules theory Chemical Physics Letters. 369: 248-255. DOI: 10.1016/S0009-2614(02)01928-0 |
0.569 |
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| 2003 |
Poater J, Cases M, Fradera X, Duran M, Solà M. Electron pairing analysis of the Fischer-type chromium–carbene complexes (CO)5CrC(X)R (X=H, OH, OCH3, NH2, NHCH3 and R=H, CH3, CHCH2, Ph, CCH ) Chemical Physics. 294: 129-139. DOI: 10.1016/J.Chemphys.2003.07.001 |
0.545 |
|
| 2002 |
Poater J, Solà M, Duran M, Robles J. Analysis of the effect of changing the a0 parameter of the Becke3-LYP hybrid functional on the transition state geometries and energy barriers in a series of prototypical reactions Physical Chemistry Chemical Physics. 4: 722-731. DOI: 10.1039/B108910M |
0.461 |
|
| 2002 |
Poater J, Solà M, Duran M, Fradera X. New Insights in Chemical Reactivity by Means of Electron Pairing Analysis The Journal of Physical Chemistry A. 106: 4794-4794. DOI: 10.1021/Jp0204511 |
0.585 |
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| 2002 |
Fradera X, Poater J, Simon S, Duran M, Solà M. Electron-pairing analysis from localization and delocalization indices in the framework of the atoms-in-molecules theory Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 108: 214-224. DOI: 10.1007/S00214-002-0375-5 |
0.568 |
|
| 2002 |
Poater J, Solà M, Duran M, Fradera X. The calculation of electron localization and delocalization indices at the Hartree-Fock, density functional and post-Hartree-Fock levels of theory Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 107: 362-371. DOI: 10.1007/S00214-002-0356-8 |
0.554 |
|
| 2001 |
Poater J, Solà M, Duran M, Fradera X. Effects of Solvation on the Pairing of Electrons in a Series of Simple Molecules and in the Menshutkin Reaction The Journal of Physical Chemistry A. 105: 6249-6257. DOI: 10.1021/Jp0108364 |
0.576 |
|
| 2001 |
Poater J, Duran M, Solà M. Parametrization of the Becke3-LYP hybrid functional for a series of small molecules using quantum molecular similarity techniques Journal of Computational Chemistry. 22: 1666-1678. DOI: 10.1002/Jcc.1122 |
0.506 |
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