| The ONIOM method and its applications LW Chung, WMC Sameera, R Ramozzi, AJ Page, M Hatanaka, ... Chemical reviews 115 (12), 5678-5796, 2015 | 1255 | 2015 |
| Development of azo‐based fluorescent probes to detect different levels of hypoxia W Piao, S Tsuda, Y Tanaka, S Maeda, F Liu, S Takahashi, Y Kushida, ... Angewandte Chemie 125 (49), 13266-13270, 2013 | 312 | 2013 |
| Light‐Promoted Nickel Catalysis: Etherification of Aryl Electrophiles with Alcohols Catalyzed by a NiII‐Aryl Complex L Yang, HH Lu, CH Lai, G Li, W Zhang, R Cao, F Liu, C Wang, J Xiao, ... Angewandte Chemie International Edition 59 (31), 12714-12719, 2020 | 124 | 2020 |
| Theoretical study of the chemiluminescent decomposition of dioxetanone F Liu, Y Liu, L De Vico, R Lindh Journal of the American Chemical Society 131 (17), 6181-6188, 2009 | 115 | 2009 |
| Multiple pathways for the primary step of the spiropyran photochromic reaction: a CASPT2//CASSCF study F Liu, K Morokuma Journal of the American Chemical Society 135 (29), 10693-10702, 2013 | 99 | 2013 |
| Computational study on the working mechanism of a stilbene light-driven molecular rotary motor: sloped minimal energy path and unidirectional nonadiabatic photoisomerization F Liu, K Morokuma Journal of the American Chemical Society 134 (10), 4864-4876, 2012 | 89 | 2012 |
| Multireference ab initio density matrix renormalization group (DMRG)-CASSCF and DMRG-CASPT2 study on the photochromic ring opening of spiropyran F Liu, Y Kurashige, T Yanai, K Morokuma Journal of Chemical Theory and Computation 9 (10), 4462-4469, 2013 | 82 | 2013 |
| A CASSCF/CASPT2 approach to the decomposition of thiazole-substituted dioxetanone: Substitution effects and charge-transfer induced electron excitation F Liu, Y Liu, L De Vico, R Lindh Chemical Physics Letters 484 (1-3), 69-75, 2009 | 57 | 2009 |
| Exploring the mechanism of fluorescence quenching and aggregation-induced emission of a phenylethylene derivative by QM (CASSCF and TDDFT) and ONIOM (QM: MM) calculations B Wang, X Wang, W Wang, F Liu The Journal of Physical Chemistry C 120 (38), 21850-21857, 2016 | 48 | 2016 |
| Reaction of AgN3 with SOCl2: Evidence for the Formation of Thionyl Azide, SO(N3)2 Zeng, Liu, Sun, G Maofa, Zhang, A Xicheng, Meng, Zheng, Wang Inorganic chemistry 43 (16), 4799-4801, 2004 | 42 | 2004 |
| Different conical intersections control nonadiabatic photochemistry of fluorene light-driven molecular rotary motor: A CASSCF and spin-flip DFT study Y Li, F Liu, B Wang, Q Su, W Wang, K Morokuma The Journal of chemical physics 145 (24), 2016 | 38 | 2016 |
| Ab initio reaction pathways for photodissociation and isomerization of nitromethane on four singlet potential energy surfaces with three roaming paths M Isegawa, F Liu, S Maeda, K Morokuma The Journal of chemical physics 140 (24), 2014 | 37 | 2014 |
| Perylene Bisimide and Naphthyl‐Based Molecular Dyads: Hydrogen Bonds Driving Co‐planarization and Anomalous Temperature‐Response Fluorescence C Shang, G Wang, K Liu, Q Jiang, F Liu, PT Chou, Y Fang Angewandte Chemie International Edition 59 (22), 8579-8585, 2020 | 36 | 2020 |
| Photochemistry of the Simplest Criegee Intermediate, CH2OO: Photoisomerization Channel toward Dioxirane Revealed by CASPT2 Calculations and Trajectory … Y Li, Q Gong, L Yue, W Wang, F Liu The Journal of Physical Chemistry Letters 9 (5), 978-981, 2018 | 33 | 2018 |
| Water-catalyzed decomposition of the simplest Criegee intermediate CH2OO L Chen, W Wang, W Wang, Y Liu, F Liu, N Liu, B Wang Theoretical Chemistry Accounts 135, 1-13, 2016 | 32 | 2016 |
| Deciphering the mechanism of aggregation-induced emission of a quinazolinone derivative displaying excited-state intramolecular proton-transfer properties: a QM, QM/MM, and MD … H Wang, Q Gong, G Wang, J Dang, F Liu Journal of Chemical Theory and Computation 15 (10), 5440-5447, 2019 | 30 | 2019 |
| Formation mechanism of methanesulfonic acid and ammonia clusters: A kinetics simulation study D Chen, D Li, C Wang, F Liu, W Wang Atmospheric Environment 222, 117161, 2020 | 28 | 2020 |
| Role of water clusters in the reaction of the simplest Criegee intermediate CH2OO with water vapour L Chen, W Wang, L Zhou, W Wang, F Liu, C Li, J Lü Theoretical Chemistry Accounts 135, 1-12, 2016 | 28 | 2016 |
| An ab initio investigation of the mechanisms of photodissociation in bromobenzene and iodobenzene SF Chen, FY Liu, YJ Liu The Journal of chemical physics 131 (12), 2009 | 28 | 2009 |
| Excimer formation of perylene bisimide dyes within stacking-restrained folda-dimers: insight into anomalous temperature responsive dual fluorescence C Shang, G Wang, YC Wei, Q Jiang, K Liu, M Zhang, YY Chen, X Chang, ... CCS Chemistry 4 (6), 1949-1960, 2022 | 27 | 2022 |
Roland LindhProfessor in Theoretical Chemistry, Uppsala University, SwedenEmail được xác minh tại kemi.uu.se