| The ONIOM method and its applications LW Chung, WMC Sameera, R Ramozzi, AJ Page, M Hatanaka, ... Chemical reviews 115 (12), 5678-5796, 2015 | 1259 | 2015 |
| A general mechanism for the copper-and silver-catalyzed olefin aziridination reactions: concomitant involvement of the singlet and triplet pathways L Maestre, WMC Sameera, MM Diaz-Requejo, F Maseras, PJ Pérez Journal of the American Chemical Society 135 (4), 1338-1348, 2013 | 194 | 2013 |
| Highly Twisted N,N-Dialkylamines as a Design Strategy to Tune Simple Aromatic Hydrocarbons as Steric Environment-Sensitive Fluorophores S Sasaki, S Suzuki, WMC Sameera, K Igawa, K Morokuma, G Konishi Journal of the American Chemical Society 138 (26), 8194-8206, 2016 | 150 | 2016 |
| Computational catalysis using the artificial force induced reaction method WMC Sameera, S Maeda, K Morokuma Accounts of Chemical Research 49 (4), 763-773, 2016 | 148 | 2016 |
| Transition metal catalysis by density functional theory and density functional theory/molecular mechanics WMC Sameera, F Maseras Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (3), 375-385, 2012 | 120 | 2012 |
| Chemo-, regio-, and stereoselective silver-catalyzed aziridination of dienes: scope, mechanistic studies, and ring-opening reactions J Llaveria, A Beltran, WMC Sameera, A Locati, MM Díaz-Requejo, ... Journal of the American Chemical Society 136 (14), 5342-5350, 2014 | 108 | 2014 |
| Luminescent Re (I) carbonyl complexes as trackable photoCORMs for CO delivery to cellular targets I Chakraborty, J Jimenez, WMC Sameera, M Kato, PK Mascharak Inorganic chemistry 56 (5), 2863-2873, 2017 | 103 | 2017 |
| Nitrogen reduction by the Fe sites of synthetic [Mo3S4Fe] cubes Y Ohki, K Munakata, Y Matsuoka, R Hara, M Kachi, K Uchida, M Tada, ... Nature 607 (7917), 86-90, 2022 | 100 | 2022 |
| DFT and AFIR study on the mechanism and the origin of enantioselectivity in iron-catalyzed cross-coupling reactions AK Sharma, WMC Sameera, M Jin, L Adak, C Okuzono, T Iwamoto, ... Journal of the American Chemical Society 139 (45), 16117-16125, 2017 | 90 | 2017 |
| A luminescent manganese PhotoCORM for CO delivery to cellular targets under the control of visible light J Jimenez, I Chakraborty, A Dominguez, J Martinez-Gonzalez, ... Inorganic Chemistry 57 (4), 1766-1773, 2018 | 81 | 2018 |
| Functional-group-tolerant, silver-catalyzed N–N bond formation by nitrene transfer to amines L Maestre, R Dorel, Ó Pablo, I Escofet, WMC Sameera, E Álvarez, ... Journal of the American Chemical Society 139 (6), 2216-2223, 2017 | 79 | 2017 |
| Palladium-catalyzed regioselective and stereo-invertive ring-opening borylation of 2-arylaziridines with bis (pinacolato) diboron: experimental and computational studies Y Takeda, A Kuroda, WMC Sameera, K Morokuma, S Minakata Chemical Science 7 (9), 6141-6152, 2016 | 79 | 2016 |
| Catalytic cross-coupling of diazo compounds with coinage metal-based catalysts: an experimental and theoretical study I Rivilla, WMC Sameera, E Alvarez, MM Díaz-Requejo, F Maseras, ... Dalton Transactions 42 (12), 4132-4138, 2013 | 70 | 2013 |
| Palladium-catalyzed regioselective and stereospecific ring-opening cross-coupling of aziridines: experimental and computational studies Y Takeda, WMC Sameera, S Minakata Accounts of Chemical Research 53 (8), 1686-1702, 2020 | 68 | 2020 |
| A hierarchy of methods for the energetically accurate modeling of isomerism in monosaccharides WMC Sameera, DA Pantazis Journal of Chemical Theory and Computation 8 (8), 2630-2645, 2012 | 58 | 2012 |
| On the mechanism of water oxidation by a bimetallic manganese catalyst: a density functional study WMC Sameera, CJ McKenzie, JE McGrady Dalton Transactions 40 (15), 3859-3870, 2011 | 51 | 2011 |
| The mechanism of iron (II)-catalyzed asymmetric Mukaiyama aldol reaction in aqueous media: density functional theory and artificial force-induced reaction study WMC Sameera, M Hatanaka, T Kitanosono, S Kobayashi, K Morokuma Journal of the American Chemical Society 137 (34), 11085-11094, 2015 | 46 | 2015 |
| Phosphorescence Properties of Discrete Platinum (II) Complex Anions Bearing N-Heterocyclic Carbenes in the Solid State T Ogawa, WMC Sameera, D Saito, M Yoshida, A Kobayashi, M Kato Inorganic chemistry 57 (22), 14086-14096, 2018 | 44 | 2018 |
| A computational view on the reactions of hydrocarbons with coinage metal complexes M Besora, AAC Braga, WMC Sameera, J Urbano, MR Fructos, PJ Perez, ... Journal of Organometallic Chemistry 784, 2-12, 2015 | 43 | 2015 |
| Mechanistic and Computational Studies of the Atom Transfer Radical Addition of CCl4 to Styrene Catalyzed by Copper Homoscorpionate Complexes JM Muñoz-Molina, WMC Sameera, E Álvarez, F Maseras, TR Belderrain, ... Inorganic Chemistry 50 (6), 2458-2467, 2011 | 42 | 2011 |