| Electronic effects on room-temperature, gas-phase C–H Bond activations by cluster oxides and metal carbides: The methane challenge H Schwarz, S Shaik, J Li Journal of the American Chemical Society 139 (48), 17201-17212, 2017 | 157 | 2017 |
| Electrostatic and charge-induced methane activation by a concerted double C–H bond insertion C Geng, J Li, T Weiske, M Schlangen, S Shaik, H Schwarz Journal of the American Chemical Society 139 (4), 1684-1689, 2017 | 99 | 2017 |
| Mechanistic variants in gas-phase metal-oxide mediated activation of methane at ambient conditions J Li, S Zhou, J Zhang, M Schlangen, D Usharani, S Shaik, H Schwarz Journal of the American Chemical Society 138 (35), 11368-11377, 2016 | 99 | 2016 |
| Unexpected mechanistic variants in the thermal gas-phase activation of methane H Schwarz, P González-Navarrete, J Li, M Schlangen, X Sun, T Weiske, ... Organometallics 36 (1), 8-17, 2017 | 96 | 2017 |
| Electronic Origins of the Variable Efficiency of Room-Temperature Methane Activation by Homo- and Heteronuclear Cluster Oxide Cations [XYO2]+ (X, Y = Al, Si, Mg): Competition … J Li, S Zhou, J Zhang, M Schlangen, T Weiske, D Usharani, S Shaik, ... J. Am. Chem. Soc. 138, 7973–7981, 2016 | 96 | 2016 |
| Ta2+-mediated ammonia synthesis from N2 and H2 at ambient temperature C Geng, J Li, T Weiske, H Schwarz Proceedings of the National Academy of Sciences 115 (46), 11680-11687, 2018 | 92 | 2018 |
| Bond activation by metal–carbene complexes in the gas phase S Zhou, J Li, M Schlangen, H Schwarz Accounts of chemical research 49 (3), 494-502, 2016 | 69 | 2016 |
| Control of product distribution and mechanism by ligation and electric field in the thermal activation of methane L Yue, J Li, S Zhou, X Sun, M Schlangen, S Shaik, H Schwarz Angewandte Chemie International Edition 56 (34), 10219-10223, 2017 | 68 | 2017 |
| Complete cleavage of the N≡ N triple bond by Ta2N+ via degenerate ligand exchange at ambient temperature: A perfect catalytic cycle C Geng, J Li, T Weiske, H Schwarz Proceedings of the National Academy of Sciences 116 (43), 21416-21420, 2019 | 63 | 2019 |
| Hidden Hydride Transfer as a Decisive Mechanistic Step in the Reactions of the Unligated Gold Carbide [AuC]+ with Methane under Ambient Conditions J Li, S Zhou, M Schlangen, T Weiske, H Schwarz Angewandte Chemie 128 (42), 13266-13269, 2016 | 59 | 2016 |
| Intrinsic Reactivity of Diatomic 3d Transition-Metal Carbides in the Thermal Activation of Methane: Striking Electronic Structure Effects C Geng, T Weiske, J Li, S Shaik, H Schwarz Journal of the American Chemical Society 141, 599-610, 2019 | 49 | 2019 |
| Recent Advances in Iron-Catalyzed C-H Bond Activation Reactions X Sun, J Li, X Huang, C Sun Current Inorganic Chemistry 2 (1), 64-85, 2012 | 49 | 2012 |
| Large Density-Functional and Basis-Set Effects for the DMSO Reductase Catalyzed Oxo-Transfer Reaction. JL Li, RA Mata, U Ryde J. Chem. Theory Comput. 9, 1799, 2013 | 48 | 2013 |
| Ligand-Controlled CO2 Activation Mediated by Cationic Titanium Hydride Complexes, [LTiH]+ (L = Cp2, O) SY Tang, NJ Rijs, J Li, M Schlangen, H Schwarz Chem. Eur. J. 10.1002/chem.201500722, 2015 | 45 | 2015 |
| Differences and Commonalities in the Gas‐Phase Reactions of Closed‐Shell Metal Dioxide Clusters [MO2]+ (M=V, Nb, and Ta) with Methane S Zhou, J Li, M Schlangen, H Schwarz Chemistry–A European Journal 22 (21), 7225-7228, 2016 | 40 | 2016 |
| Mechanism Insights of Ethane C–H Bond Activations by Bare [FeIIIO]+: Explicit Electronic Structure Analysis XL Sun, XR Huang, JL Li, RP Huo, CC Sun The Journal of Physical Chemistry A 116 (5), 1475-1485, 2012 | 40 | 2012 |
| Spin‐Selective Thermal Activation of Methane by Closed‐Shell [TaO3]+ S Zhou, J Li, M Schlangen, H Schwarz Angewandte Chemie International Edition 55 (25), 7257-7260, 2016 | 39 | 2016 |
| Mechanism of benzene hydroxylation by high-valent bare FeIV=O2+: explicit electronic structure analysis JL Li, X Zhang, XR Huang Physical Chemistry Chemical Physics 14 (1), 246-256, 2012 | 39 | 2012 |
| On the Role of the Electronic Structure of the Heteronuclear Oxide Cluster [Ga2Mg2O5].+ in the Thermal Activation of Methane and Ethane: An Unusual Doping Effect J Li, XN Wu, M Schlangen, S Zhou, PG Navarrete, S Tang, H Schwarz Angewandte Chemie International Edition 54, 5074 –5078, 2015 | 38 | 2015 |
| Large equatorial ligand effects on C–H bond activation by nonheme iron (IV)-oxo complexes X Sun, C Geng, R Huo, U Ryde, Y Bu, J Li The Journal of Physical Chemistry B 118 (6), 1493-1500, 2014 | 35 | 2014 |
Sason ShaikProfessor of Chemistry, Institute of Chemistry, The Hebrew University of Jerusalem在 yfaat.ch.huji.ac.il 的电子邮件经过验证
