| Multiscale modeling of enzymes: QM‐cluster, QM/MM, and QM/MM/MD: a tutorial review S Ahmadi, L Barrios Herrera, M Chehelamirani, J Hostaš, S Jalife, ... International Journal of Quantum Chemistry 118 (9), e25558, 2018 | 147 | 2018 |
| Coaxial Triple‐Layered versus Helical Be6B11− Clusters: Dual Structural Fluxionality and Multifold Aromaticity JC Guo, LY Feng, YJ Wang, S Jalife, A Vásquez‐Espinal, JL Cabellos, ... Angewandte Chemie International Edition 56 (34), 10174-10177, 2017 | 101 | 2017 |
| Fluxional boron clusters: from theory to reality S Pan, J Barroso, S Jalife, T Heine, KR Asmis, G Merino Accounts of chemical research 52 (9), 2732-2744, 2019 | 92 | 2019 |
| Li2B12 and Li3B12: Prediction of the Smallest Tubular and Cage‐like Boron Structures X Dong, S Jalife, A Vásquez‐Espinal, E Ravell, S Pan, JL Cabellos, ... Angewandte Chemie International Edition 57 (17), 4627-4631, 2018 | 83 | 2018 |
| Dynamical behavior of boron clusters S Jalife, L Liu, S Pan, JL Cabellos, E Osorio, C Lu, T Heine, KJ Donald, ... Nanoscale 8 (40), 17639-17644, 2016 | 79 | 2016 |
| Li 2 B 24: the simplest combination for a three-ring boron tube X Dong, S Jalife, A Vásquez-Espinal, J Barroso, M Orozco-Ic, E Ravell, ... Nanoscale 11 (5), 2143-2147, 2019 | 64 | 2019 |
| Noble gas endohedral fullerenes S Jalife, J Arcudia, S Pan, G Merino Chemical Science 11 (26), 6642-6652, 2020 | 54 | 2020 |
| Structure and Stability of (NG)nCN3Be3+ Clusters and Comparison with (NG)BeY0/+ S Pan, S Jalife, RM Kumar, V Subramanian, G Merino, PK Chattaraj ChemPhysChem 14 (11), 2511-2517, 2013 | 41 | 2013 |
| Structure and Bonding in CE5− (E=Al–Tl) Clusters: Planar Tetracoordinate Carbon versus Pentacoordinate Carbon E Ravell, S Jalife, J Barroso, M Orozco‐Ic, G Hernández‐Juárez, ... Chemistry–An Asian Journal 13 (11), 1467-1473, 2018 | 38 | 2018 |
| Attractive Xe–Li interaction in Li-decorated clusters S Pan, S Jalife, J Romero, A Reyes, G Merino, PK Chattaraj Computational and Theoretical Chemistry 1021, 62-69, 2013 | 34 | 2013 |
| B 10 M 2 (M= Rh, Ir): finally a stable boron-based icosahedral cluster W Liang, J Barroso, S Jalife, M Orozco-Ic, X Zarate, X Dong, Z Cui, ... Chemical Communications 55 (52), 7490-7493, 2019 | 29 | 2019 |
| Breaking the Isolated Pentagon Rule by Encapsulating Xe2 in C60: The Guest Defines the Shape of the Host S Jalife, S Mondal, JL Cabellos, S Pan, MÁ Méndez‐Rojas, I Fernández, ... ChemistrySelect 1 (10), 2405-2408, 2016 | 14 | 2016 |
| Tetra‐tert‐butyl‐s‐indacene is a Bond‐Localized C2h Structure and a Challenge for Computational Chemistry LJ Karas, S Jalife, RV Viesser, JV Soares, MM Haley, JI Wu Angewandte Chemie International Edition 62 (36), e202307379, 2023 | 13 | 2023 |
| The 9-homocubyl cation rearrangement revisited S Jalife, I Judy, C Wu, G Martínez-Guajardo, P von Ragué Schleyer, ... Chemical Communications 51 (25), 5391-5393, 2015 | 12 | 2015 |
| Modulation of an anagostic interaction in SiPSi-type pincer platinum complexes J Zamora-Moreno, F Murillo, MA Munoz-Hernandez, M Grellier, S Pan, ... Organometallics 37 (20), 3581-3587, 2018 | 10 | 2018 |
| The inorganic analogues of carbo-benzene S Jalife, M Audiffred, R Islas, S Escalante, S Pan, PK Chattaraj, G Merino Chemical Physics Letters 610, 209-212, 2014 | 10 | 2014 |
| Cyclotetrabenzil Derivatives for Electrochemical Lithium‐Ion Storage J Meng, A Robles, S Jalife, W Ren, Y Zhang, L Zhao, Y Liang, JI Wu, ... Angewandte Chemie 135 (29), e202300892, 2023 | 7 | 2023 |
| Nonclassical 21-homododecahedryl cation rearrangement revisited S Jalife, S Mondal, E Osorio, JL Cabellos, G Martínez-Guajardo, ... Organic letters 18 (5), 1140-1142, 2016 | 7 | 2016 |
| The cubyl cation rearrangements S Jalife, S Mondal, JL Cabellos, G Martinez-Guajardo, ... Chemical Communications 52 (16), 3403-3405, 2016 | 6 | 2016 |
| Mechanistic Elucidation of the 2‐Norbornyl to 1, 3‐Dimethylcyclopentenyl Cation Isomerization S Jalife, G Martínez‐Guajardo, C Zavala‐Oseguera, ... European Journal of Organic Chemistry 2014 (35), 7955-7959, 2014 | 6 | 2014 |
Gabriel MerinoApplied Physics Department, Cinvestav, Merida. Mexico在 cinvestav.mx 的电子邮件经过验证
