Fengyi Liu(刘峰毅)
Fengyi Liu(刘峰毅)
Verified email at snnu.edu.cn - Homepage
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The ONIOM method and its applications
LW Chung, WMC Sameera, R Ramozzi, AJ Page, M Hatanaka, ...
Chemical reviews 115 (12), 5678-5796, 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
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
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
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
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
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
Reaction of AgN3 with SOCl2:  Evidence for the Formation of Thionyl Azide, SO(N3)2
Z Xiaoqing, L Fengyi, S Qiao, G Maofa, Z Jianping, A Xicheng, ...
Inorganic chemistry 43 (16), 4799-4801, 2004
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
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), 244310, 2014
Water-catalyzed decomposition of the simplest Criegee intermediate CH 2 OO
L Chen, W Wang, W Wang, Y Liu, F Liu, N Liu, B Wang
Theoretical Chemistry Accounts 135 (5), 1-13, 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), 124304, 2009
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
Small fullerenes with BN belts: A density functional theory investigation
F Liu, L Meng, S Zheng
The Journal of Physical Chemistry B 110 (13), 6666-6672, 2006
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
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), 244311, 2016
Electronic structures of acyl nitrites and nitrates
X Zeng, L Yao, W Wang, F Liu, Q Sun, M Ge, Z Sun, J Zhang, D Wang
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 64 (4 …, 2006
Electronic structure of binary phosphoric and arsenic triazides
Z Xiaoqing, W Weigang, L Fengyi, G Maofa, S Zheng, W Dianxun
European journal of inorganic chemistry 2006 (2), 416-421, 2006
On the optical properties of thiophene oligomers: configuration interaction study on their ground (S0) and first singlet excited (S1) states
F Liu, P Zuo, L Meng, SJ Zheng
Journal of Molecular Structure: THEOCHEM 726 (1-3), 161-169, 2005
Role of water clusters in the reaction of the simplest Criegee intermediate CH 2 OO with water vapour
L Chen, W Wang, L Zhou, W Wang, F Liu, C Li, J Lü
Theoretical Chemistry Accounts 135 (11), 1-12, 2016
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