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Fengyi Liu(刘峰毅)
Fengyi Liu(刘峰毅)
Verified email at snnu.edu.cn - Homepage
Title
Cited by
Cited by
Year
The ONIOM method and its applications
LW Chung, WMC Sameera, R Ramozzi, AJ Page, M Hatanaka, ...
Chemical reviews 115 (12), 5678-5796, 2015
10992015
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
2912013
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
1092009
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
942020
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
942013
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
842012
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
782013
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
562009
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
432016
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
402004
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
362014
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
302016
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
302016
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
292020
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
292018
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
262009
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
252019
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
242016
Reactions between hydroxyl-substituted alkylperoxy radicals and Criegee intermediates: correlations of the electronic characteristics of methyl substituents and the reactivity
Q Zhao, F Liu, W Wang, C Li, J Lü, W Wang
Physical Chemistry Chemical Physics 19 (23), 15073-15083, 2017
222017
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
182022
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