| Year |
Citation |
Score |
| 2024 |
Sun R, Jiang Y, Chen HR, Jiang X, Cao YC, Ye S, Liao RZ, Tung CH, Wang W. Bimetallic H Addition and Intramolecular Caryl-H Activation Mediated by an Iron-Zinc Hydride. Inorganic Chemistry. PMID 38512050 DOI: 10.1021/acs.inorgchem.4c00454 |
0.336 |
|
| 2023 |
Li Y, Chen JY, Zhang X, Peng Z, Miao Q, Chen W, Xie F, Liao RZ, Ye S, Tung CH, Wang W. Electrocatalytic Interconversions of CO and Formate on a Versatile Iron-Thiolate Platform. Journal of the American Chemical Society. PMID 38019775 DOI: 10.1021/jacs.3c09824 |
0.373 |
|
| 2023 |
Monkcom E, Gomez Martin L, Lutz M, Ye S, Bill E, Costas M, Klein Gebbink RJ. Synthesis, Structure and Reactivity of a Mononuclear N,N,O-Bound Fe(II) α-Keto-Acid Complex. Chemistry (Weinheim An Der Bergstrasse, Germany). e202302710. PMID 37882223 DOI: 10.1002/chem.202302710 |
0.408 |
|
| 2023 |
Tretiakov S, Lutz M, Titus CJ, de Groot F, Nehrkorn J, Lohmiller T, Holldack K, Schnegg A, Tarrago MFX, Zhang P, Ye S, Aleshin D, Pavlov A, Novikov V, Moret ME. Homoleptic Fe(III) and Fe(IV) Complexes of a Dianionic C-Symmetric Scorpionate. Inorganic Chemistry. PMID 37369076 DOI: 10.1021/acs.inorgchem.3c00871 |
0.436 |
|
| 2023 |
Xiong J, Liu Q, Lavina B, Hu MY, Zhao J, Alp EE, Deng L, Ye S, Guo Y. Spin polarization assisted facile C-H activation by an = 1 iron(iv)-bisimido complex: a comprehensive spectroscopic and theoretical investigation. Chemical Science. 14: 2808-2820. PMID 36937578 DOI: 10.1039/d2sc06273a |
0.424 |
|
| 2023 |
Wang D, Chen W, Zhai C, Zhao L, Ye S, Tan G. Monosubstituted Doublet Sn(I) Radical Featuring Substantial Unquenched Orbital Angular Momentum. Journal of the American Chemical Society. 145: 6914-6920. PMID 36926867 DOI: 10.1021/jacs.3c00421 |
0.306 |
|
| 2023 |
McWilliams SF, Mercado BQ, MacLeod KC, Fataftah MS, Tarrago M, Wang X, Bill E, Ye S, Holland PL. Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an = 3 ground state. Chemical Science. 14: 2303-2312. PMID 36873832 DOI: 10.1039/d2sc06412j |
0.353 |
|
| 2022 |
Tarrago M, Ye S, Neese F. Electronic structure analysis of electrochemical CO reduction by iron-porphyrins reveals basic requirements for design of catalysts bearing non-innocent ligands. Chemical Science. 13: 10029-10047. PMID 36128248 DOI: 10.1039/d2sc01863b |
0.548 |
|
| 2022 |
Tian YC, Jiang Y, Lin YH, Zhang P, Wang CC, Ye S, Lee WZ. Hydrogen Atom Transfer Thermodynamics of Homologous Co(III)- and Mn(III)-Superoxo Complexes: The Effect of the Metal Spin State. Jacs Au. 2: 1899-1909. PMID 36032524 DOI: 10.1021/jacsau.2c00268 |
0.316 |
|
| 2022 |
Su L, Yang D, Jiang Y, Li Y, Di K, Wang B, Ye S, Qu J. A Bioinspired Iron-Molybdenum μ-Nitrido Complex and Its Reactivity toward Ammonia Formation. Angewandte Chemie (International Ed. in English). e202203121. PMID 35604770 DOI: 10.1002/anie.202203121 |
0.424 |
|
| 2022 |
Cordes Née Kupper C, Klawitter I, Rüter I, Dechert S, Demeshko S, Ye S, Meyer F. Organometallic μ-Nitridodiiron Complexes in Oxidation States Ranging from (III/III) to (IV/IV). Inorganic Chemistry. PMID 35475617 DOI: 10.1021/acs.inorgchem.2c00685 |
0.414 |
|
| 2022 |
Li Y, Chen JY, Miao Q, Yu X, Feng L, Liao RZ, Ye S, Tung CH, Wang W. A Parent Iron Amido Complex in Catalysis of Ammonia Oxidation. Journal of the American Chemical Society. 144: 4365-4375. PMID 35234468 DOI: 10.1021/jacs.1c08609 |
0.333 |
|
| 2022 |
Xie Y, Miao Q, Deng W, Lu Y, Yang Y, Chen X, Liao RZ, Ye S, Tung CH, Wang W. Facile Transformations of a Binuclear Cp*Co(II) Diamidonaphthalene Complex to Mixed-Valent Co(II)Co(III), Co(III)(μ-H)Co(III), and Co(III)(μ-OH)Co(III) Derivatives. Inorganic Chemistry. PMID 35049285 DOI: 10.1021/acs.inorgchem.1c03451 |
0.321 |
|
| 2021 |
Zhang Y, Zhao J, Yang D, Wang B, Zhou Y, Wang J, Chen H, Mei T, Ye S, Qu J. A thiolate-bridged FeFe μ-nitrido complex and its hydrogenation reactivity toward ammonia formation. Nature Chemistry. PMID 34949791 DOI: 10.1038/s41557-021-00852-6 |
0.413 |
|
| 2021 |
Cramer HH, Ye S, Neese F, Werlé C, Leitner W. Cobalt-Catalyzed Hydrosilylation of Carbon Dioxide to the Formic Acid, Formaldehyde, and Methanol Level-How to Control the Catalytic Network? Jacs Au. 1: 2058-2069. PMID 34849511 DOI: 10.1021/jacsau.1c00350 |
0.45 |
|
| 2021 |
Xu S, Yang D, Wang B, Chen Y, Ye S, Qu J. Generation of a Sulfinamide Species from Facile N-O Bond Cleavage of Nitrosobenzene by a Thiolate-Bridged Diiron Complex. Journal of the American Chemical Society. 143: 17374-17387. PMID 34617736 DOI: 10.1021/jacs.1c03542 |
0.394 |
|
| 2021 |
Tarrago M, Römelt C, Nehrkorn J, Schnegg A, Neese F, Bill E, Ye S. Experimental and Theoretical Evidence for an Unusual Almost Triply Degenerate Electronic Ground State of Ferrous Tetraphenylporphyrin. Inorganic Chemistry. PMID 33739093 DOI: 10.1021/acs.inorgchem.1c00031 |
0.474 |
|
| 2020 |
Monkcom EC, de Bruin D, de Vries AJ, Lutz M, Ye S, Klein Gebbink RJ. Structurally Modelling the 2-His-1-Carboxylate Facial Triad with a Bulky N,N,O Phenolate Ligand. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 33326655 DOI: 10.1002/chem.202004633 |
0.321 |
|
| 2020 |
Roy L, Mondal B, Ye S. Computational mechanistic insights into non-noble-metal-catalysed CO conversion. Dalton Transactions (Cambridge, England : 2003). PMID 33174563 DOI: 10.1039/d0dt03096a |
0.626 |
|
| 2020 |
Chen TY, Ho PH, Spyra CJ, Meyer F, Bill E, Ye S, Lee WZ. Ambiphilicity of a mononuclear cobalt(III) superoxo complex. Chemical Communications (Cambridge, England). PMID 33151205 DOI: 10.1039/d0cc05337f |
0.344 |
|
| 2020 |
Yu C, Zhong M, Zhang Y, Wei J, Ma W, Zhang WX, Ye S, Xi Z. Butadienyl Diiron Complexes: Nonplanar Metalla-Aromatics Involving σ-Type Orbital Overlap. Angewandte Chemie (International Ed. in English). PMID 32686269 DOI: 10.1002/Anie.202008986 |
0.396 |
|
| 2020 |
Huang Z, Zheng Y, Zhang WX, Ye S, Deng L, Xi Z. Dinickelaferrocene: Ferrocene Analogue with Two Aromatic Nickeloles Realized by Electron Back Donation from Fe. Angewandte Chemie (International Ed. in English). PMID 32510800 DOI: 10.1002/Anie.202007222 |
0.396 |
|
| 2020 |
Lin YH, Kutin Y, van Gastel M, Bill E, Schnegg A, Ye S, Lee WZ. A Manganese(IV)-Hydroperoxo Intermediate Generated by Protonation of the Corresponding Manganese(III)-Superoxo Complex. Journal of the American Chemical Society. PMID 32412757 DOI: 10.1021/jacs.0c02756 |
0.331 |
|
| 2020 |
Chan SC, Ang ZZ, Gupta P, Ganguly R, Li Y, Ye S, England J. Carbodicarbene Ligand Redox Noninnocence in Highly Oxidized Chromium and Cobalt Complexes. Inorganic Chemistry. PMID 32101411 DOI: 10.1021/acs.inorgchem.0c00153 |
0.392 |
|
| 2019 |
Keilwerth M, Hohenberger J, Heinemann FW, Sutter J, Scheurer A, Fang H, Bill E, Neese F, Ye S, Meyer K. A Series of Iron Nitrosyl Complexes {Fe-NO}6-9 and a Fleeting {Fe-NO}10 Intermediate en route to a Metalacyclic Iron Nitrosoalkane. Journal of the American Chemical Society. PMID 31566964 DOI: 10.1021/Jacs.9B08053 |
0.552 |
|
| 2019 |
Cheng J, Chen Q, Leng X, Ye S, Deng L. Three-Coordinate Iron(0) Complexes with -Heterocyclic Carbene and Vinyltrimethylsilane Ligation: Synthesis, Characterization, and Ligand Substitution Reactions. Inorganic Chemistry. PMID 31536336 DOI: 10.1021/Acs.Inorgchem.9B02009 |
0.415 |
|
| 2019 |
Ye S, Neese F, Chang HC, Lee WZ, Bill E, Lin YH, Werlé C. Conversion of a Fleeting Open-Shell Iron-Nitride to an Iron-Nitrosyl. Angewandte Chemie (International Ed. in English). PMID 31532866 DOI: 10.1002/Anie.201908689 |
0.53 |
|
| 2019 |
Meyer F, Ghosh M, Cramer HH, Dechert S, Demeshko S, John M, Hansmann MM, Ye S. A µ-Phosphido Diiron Dumbbell in Multiple Oxidation States. Angewandte Chemie (International Ed. in English). PMID 31350785 DOI: 10.1002/Anie.201908213 |
0.364 |
|
| 2019 |
Lin YH, Cramer HH, van Gastel M, Tsai YH, Chu CY, Kuo TS, Lee IR, Ye S, Bill E, Lee WZ. Mononuclear Manganese(III) Superoxo Complexes: Synthesis, Characterization, and Reactivity. Inorganic Chemistry. PMID 31328507 DOI: 10.1021/Acs.Inorgchem.9B00767 |
0.371 |
|
| 2019 |
Cheng J, Liu J, Leng X, Lohmiller T, Schnegg A, Bill E, Ye S, Deng L. A Two-Coordinate Iron(II) Imido Complex with NHC Ligation: Synthesis, Characterization, and Its Diversified Reactivity of Nitrene Transfer and C-H Bond Activation. Inorganic Chemistry. PMID 31083985 DOI: 10.1021/Acs.Inorgchem.9B01147 |
0.415 |
|
| 2019 |
Moore JT, Chatterjee S, Tarrago M, Clouston LJ, Sproules S, Bill E, Bernales V, Gagliardi L, Ye S, Lancaster KM, Lu CC. Enhanced Fe-Centered Redox Flexibility in Fe-Ti Heterobimetallic Complexes. Inorganic Chemistry. PMID 30957996 DOI: 10.1021/Acs.Inorgchem.9B00442 |
0.389 |
|
| 2019 |
Roy L, Al-Afyouni MH, DeRosha DE, Mondal B, DiMucci IM, Lancaster KM, Shearer J, Bill E, Brennessel WW, Neese F, Ye S, Holland PL. Reduction of CO by a masked two-coordinate cobalt(i) complex and characterization of a proposed oxodicobalt(ii) intermediate. Chemical Science. 10: 918-929. PMID 30774886 DOI: 10.1039/C8Sc02599A |
0.695 |
|
| 2019 |
Neese F, Atanasov M, Bistoni G, Manganas D, Ye S. Chemistry and Quantum Mechanics in 2019 - Give us Insight and Numbers. Journal of the American Chemical Society. PMID 30629883 DOI: 10.1021/Jacs.8B13313 |
0.376 |
|
| 2019 |
Chang HC, Mondal B, Fang H, Neese F, Bill E, Ye S. EPR Signature of Tetragonal Low Spin Iron(V)-Nitrido and -Oxo Complexes Derived from the Electronic Structure Analysis of Heme and Non-Heme Archetypes. Journal of the American Chemical Society. PMID 30620571 DOI: 10.1021/Jacs.8B11429 |
0.555 |
|
| 2018 |
Chan SC, Gupta P, Engelmann X, Ang ZZ, Ganguly R, Bill E, Ray K, Ye S, England J. Observation of Carbodicarbene Ligand Redox Noninnocence in Highly Oxidized Iron Complexes. Angewandte Chemie (International Ed. in English). PMID 30239076 DOI: 10.1002/anie.201809158 |
0.42 |
|
| 2018 |
Mondal B, Neese F, Bill E, Ye S. Electronic Structure Contributions of Non-Heme Oxo-Iron(V) Complexes to the Reactivity. Journal of the American Chemical Society. PMID 29984578 DOI: 10.1021/Jacs.8B04275 |
0.506 |
|
| 2018 |
Römelt C, Ye S, Bill E, Weyhermüller T, van Gastel M, Neese F. Electronic Structure and Spin Multiplicity of Iron Tetraphenylporphyrins in Their Reduced States as Determined by a Combination of Resonance Raman Spectroscopy and Quantum Chemistry. Inorganic Chemistry. PMID 29384663 DOI: 10.1021/Acs.Inorgchem.7B03018 |
0.503 |
|
| 2017 |
Kupper C, Mondal B, Serrano-Plana J, Klawitter I, Neese F, Costas M, Ye S, Meyer F. Non-Classical Single-State Reactivity of an Oxo-Iron(IV) Complex Confined to Triplet Pathways. Journal of the American Chemical Society. PMID 28557448 DOI: 10.1021/Jacs.7B03255 |
0.581 |
|
| 2017 |
Römelt C, Song J, Tarrago M, Rees JA, van Gastel M, Weyhermüller T, DeBeer S, Bill E, Neese F, Ye S. Electronic Structure of a Formal Iron(0) Porphyrin Complex Relevant to CO2 Reduction. Inorganic Chemistry. PMID 28379689 DOI: 10.1021/Acs.Inorgchem.7B00401 |
0.57 |
|
| 2017 |
Bergner M, Roy L, Dechert S, Neese F, Ye S, Meyer F. Ligand Rearrangements at Fe/S Cofactors: Slow Isomerization of a Biomimetic [2Fe-2S] Cluster. Angewandte Chemie (International Ed. in English). PMID 28370980 DOI: 10.1002/Anie.201612621 |
0.681 |
|
| 2016 |
Wang CC, Chang HC, Lai YC, Fang H, Li CC, Hsu HK, Li ZY, Lin TS, Kuo TS, Neese F, Ye S, Chiang YW, Tsai ML, Liaw WF, Lee WZ. A Structurally Characterized Nonheme Cobalt-Hydroperoxo Complex Derived from its Superoxo Intermediate via Hydrogen Atom Abstraction. Journal of the American Chemical Society. PMID 27726348 DOI: 10.1021/Jacs.6B08642 |
0.486 |
|
| 2016 |
Ye S, Kupper C, Meyer S, Andris E, Navratil R, Krahe O, Mondal B, Atanasov M, Bill E, Roithova J, Meyer F, Neese F. Magnetic Circular Dichroism Evidence for an Unusual Electronic Structure for a Tetracarbene-Oxoiron(IV) Complex. Journal of the American Chemical Society. PMID 27682505 DOI: 10.1021/Jacs.6B07708 |
0.546 |
|
| 2016 |
Tamanaha E, Zhang B, Guo Y, Chang WC, Barr EW, Xing G, St Clair J, Ye S, Neese F, Bollinger JM, Krebs C. Spectroscopic Evidence for the Two C-H-Cleaving Intermediates of Aspergillus nidulans Isopenicillin N Synthase. Journal of the American Chemical Society. 138: 8862-74. PMID 27193226 DOI: 10.1021/Jacs.6B04065 |
0.489 |
|
| 2016 |
Mondal B, Neese F, Ye S. Toward Rational Design of 3d Transition Metal Catalysts for CO2 Hydrogenation Based on Insights into Hydricity-Controlled Rate-Determining Steps. Inorganic Chemistry. PMID 27163654 DOI: 10.1021/Acs.Inorgchem.6B00471 |
0.439 |
|
| 2016 |
Christian GJ, Neese F, Ye S. Unravelling the Molecular Origin of the Regiospecificity in Extradiol Catechol Dioxygenases. Inorganic Chemistry. PMID 27050565 DOI: 10.1021/Acs.Inorgchem.5B02978 |
0.432 |
|
| 2016 |
Ye S, Bill E, Neese F. Electronic Structures of the [Fe(N2)(SiP(iPr)3)](+1/0/-1) Electron Transfer Series: A Counterintuitive Correlation between Isomer Shifts and Oxidation States. Inorganic Chemistry. PMID 26966915 DOI: 10.1021/Acs.Inorgchem.5B02908 |
0.538 |
|
| 2015 |
Ye S, Xue G, Krivokapic I, Petrenko T, Bill E, Que L, Neese F. Magnetic circular dichroism and computational study of mononuclear and dinuclear iron(IV) complexes. Chemical Science (Royal Society of Chemistry : 2010). 6: 2909-2921. PMID 26417426 DOI: 10.1039/C4Sc03268C |
0.574 |
|
| 2015 |
Mondal B, Neese F, Ye S. Control in the Rate-Determining Step Provides a Promising Strategy To Develop New Catalysts for CO2 Hydrogenation: A Local Pair Natural Orbital Coupled Cluster Theory Study. Inorganic Chemistry. 54: 7192-8. PMID 26204267 DOI: 10.1021/Acs.Inorgchem.5B00469 |
0.536 |
|
| 2015 |
Mondal B, Song J, Neese F, Ye S. Bio-inspired mechanistic insights into CO₂ reduction. Current Opinion in Chemical Biology. 25: 103-9. PMID 25588961 DOI: 10.1016/J.Cbpa.2014.12.022 |
0.392 |
|
| 2014 |
Song J, Klein EL, Neese F, Ye S. The mechanism of homogeneous CO2 reduction by Ni(cyclam): product selectivity, concerted proton-electron transfer and C-O bond cleavage. Inorganic Chemistry. 53: 7500-7. PMID 24957425 DOI: 10.1021/Ic500829P |
0.498 |
|
| 2014 |
Geng C, Ye S, Neese F. Does a higher metal oxidation state necessarily imply higher reactivity toward H-atom transfer? A computational study of C-H bond oxidation by high-valent iron-oxo and -nitrido complexes. Dalton Transactions (Cambridge, England : 2003). 43: 6079-86. PMID 24492533 DOI: 10.1039/C3Dt53051E |
0.552 |
|
| 2013 |
Ye S, Geng CY, Shaik S, Neese F. Electronic structure analysis of multistate reactivity in transition metal catalyzed reactions: The case of C-H bond activation by non-heme iron(iv)-oxo cores Physical Chemistry Chemical Physics. 15: 8017-8030. PMID 23632340 DOI: 10.1039/C3Cp00080J |
0.553 |
|
| 2013 |
Xue G, Geng C, Ye S, Fiedler AT, Neese F, Que L. Hydrogen-bonding effects on the reactivity of [X-Fe(III)-O-Fe(IV)â•O] (X = OH, F) complexes toward C-H bond cleavage. Inorganic Chemistry. 52: 3976-84. PMID 23496330 DOI: 10.1021/Ic3027896 |
0.526 |
|
| 2012 |
Ye S, Neese F. How Do Heavier Halide Ligands Affect the Signs and Magnitudes of the Zero-Field Splittings in Halogenonickel(II) Scorpionate Complexes? A Theoretical Investigation Coupled to Ligand-Field Analysis. Journal of Chemical Theory and Computation. 8: 2344-51. PMID 26588967 DOI: 10.1021/Ct300237F |
0.5 |
|
| 2012 |
Dugan TR, Bill E, MacLeod KC, Christian GJ, Cowley RE, Brennessel WW, Ye S, Neese F, Holland PL. Reversible C-C bond formation between redox-active pyridine ligands in iron complexes. Journal of the American Chemical Society. 134: 20352-64. PMID 23181620 DOI: 10.1021/Ja305679M |
0.565 |
|
| 2012 |
Ye S, Riplinger C, Hansen A, Krebs C, Bollinger JM, Neese F. Electronic structure analysis of the oxygen-activation mechanism by Fe(II)- and α-ketoglutarate (αKG)-dependent dioxygenases. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 6555-67. PMID 22511515 DOI: 10.1002/Chem.201102829 |
0.529 |
|
| 2012 |
Desrochers PJ, Sutton CA, Abrams ML, Ye S, Neese F, Telser J, Ozarowski A, Krzystek J. Electronic structure of nickel(II) and zinc(II) borohydrides from spectroscopic measurements and computational modeling. Inorganic Chemistry. 51: 2793-805. PMID 22335547 DOI: 10.1021/Ic201775C |
0.531 |
|
| 2011 |
Neese F, Liakos DG, Ye S. Correlated wavefunction methods in bioinorganic chemistry. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. 16: 821-9. PMID 21541855 DOI: 10.1007/S00775-011-0787-6 |
0.483 |
|
| 2011 |
Ye S, Neese F. Nonheme oxo-iron(IV) intermediates form an oxyl radical upon approaching the C-H bond activation transition state. Proceedings of the National Academy of Sciences of the United States of America. 108: 1228-33. PMID 21220293 DOI: 10.1073/Pnas.1008411108 |
0.552 |
|
| 2011 |
Geng C, Ye S, Neese F. Analysis of reaction channels for alkane hydroxylation by nonheme iron(IV)-oxo complexes. Angewandte Chemie (International Ed. in English). 49: 5717-20. PMID 20629002 DOI: 10.1002/Anie.201001850 |
0.458 |
|
| 2010 |
Ye S, Price JC, Barr EW, Green MT, Bollinger JM, Krebs C, Neese F. Cryoreduction of the NO-adduct of taurine:alpha-ketoglutarate dioxygenase (TauD) yields an elusive {FeNO}(8) species. Journal of the American Chemical Society. 132: 4739-51. PMID 20218714 DOI: 10.1021/Ja909715G |
0.561 |
|
| 2010 |
Ye S, Neese F. The unusual electronic structure of dinitrosyl iron complexes. Journal of the American Chemical Society. 132: 3646-7. PMID 20196538 DOI: 10.1021/Ja9091616 |
0.563 |
|
| 2010 |
Ye S, Neese F. Accurate modeling of spin-state energetics in spin-crossover systems with modern density functional theory. Inorganic Chemistry. 49: 772-4. PMID 20050628 DOI: 10.1021/Ic902365A |
0.442 |
|
| 2010 |
Ye S, Neese F, Ozarowski A, Smirnov D, Krzystek J, Telser J, Liao JH, Hung CH, Chu WC, Tsai YF, Wang RC, Chen KY, Hsu HF. Family of V(III)-tristhiolato complexes relevant to functional models of vanadium nitrogenase: synthesis and electronic structure investigations by means of high-frequency and -field electron paramagnetic resonance coupled to quantum chemical computations. Inorganic Chemistry. 49: 977-88. PMID 20028109 DOI: 10.1021/Ic9017745 |
0.532 |
|
| 2009 |
Sundararajan M, Ganyushin D, Ye S, Neese F. Multireference ab initio studies of zero-field splitting and magnetic circular dichroism spectra of tetrahedral Co(II) complexes. Dalton Transactions (Cambridge, England : 2003). 6021-36. PMID 19623403 DOI: 10.1039/B902743B |
0.507 |
|
| 2009 |
Ye S, Neese F. Quantum chemical studies of C-H activation reactions by high-valent nonheme iron centers. Current Opinion in Chemical Biology. 13: 89-98. PMID 19272830 DOI: 10.1016/J.Cbpa.2009.02.007 |
0.5 |
|
| 2009 |
Römelt M, Ye S, Neese F. Calibration of modern density functional theory methods for the prediction of 57Fe Mössbauer isomer shifts: meta-GGA and double-hybrid functionals. Inorganic Chemistry. 48: 784-5. PMID 19102678 DOI: 10.1021/Ic801535V |
0.441 |
|
| 2008 |
Ye S, Tuttle T, Bill E, Simkhovich L, Gross Z, Thiel W, Neese F. The electronic structure of iron corroles: A combined experimental and quantum chemical study Chemistry - a European Journal. 14: 10839-10851. PMID 18956397 DOI: 10.1002/Chem.200801265 |
0.584 |
|
| 2007 |
Sinnecker S, Svensen N, Barr EW, Ye S, Bollinger JM, Neese F, Krebs C. Spectroscopic and computational evaluation of the structure of the high-spin Fe(IV)-oxo intermediates in taurine: alpha-ketoglutarate dioxygenase from Escherichia coli and its His99Ala ligand variant. Journal of the American Chemical Society. 129: 6168-79. PMID 17451240 DOI: 10.1021/Ja067899Q |
0.559 |
|
| 2007 |
Kirchner B, Wennmohs F, Ye S, Neese F. Theoretical bioinorganic chemistry: the electronic structure makes a difference. Current Opinion in Chemical Biology. 11: 134-41. PMID 17349817 DOI: 10.1016/J.Cbpa.2007.02.026 |
0.449 |
|
| 2005 |
Ye S, Sarkar B, Duboc C, Fiedler J, Kaim W. The redox series [M(bpy)2(q)]n+, M = Ru or Os, Q = 3,5-di-tert-butyl-n-phenyl-1,2-benzoquinonemonoimine. Isolation and a complete X and W band EPR study of the semiquinone states (n = 1). Inorganic Chemistry. 44: 2843-7. PMID 15819573 DOI: 10.1021/Ic048407I |
0.55 |
|
| 2005 |
Ye S, Sarkar B, Lissner F, Schleid T, van Slageren J, Fiedler J, Kaim W. Three-spin system with a twist: a bis(semiquinonato)copper complex with a nonplanar configuration at the copper(II) center. Angewandte Chemie (International Ed. in English). 44: 2103-6. PMID 15723422 DOI: 10.1002/Anie.200462339 |
0.553 |
|
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