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Journal of Computational Chemistry|March 16, 2012
Theoretical study and rate constants calculation for the reactions X + CF3CH2OCF3 (X = F, Cl, Br)Hui Zhang, Yang Liu, Jing-Yao Liu, et al.Journal of Molecular Modeling|December 25, 2012
Theoretical study and rate constant calculations for the reactions of SiHX₃ with CF₃ and CH₃ radicals (X = F, Cl)Hui Zhang, Ping Liu, Jing-Yao Liu, et al.Journal of Molecular Modeling|December 21, 2005
A molecular-dynamics simulation study of diffusion of a single model carbonic chain on a graphite (001) surfaceHua Yang, Zhong-Yuan Lu, Ze-Sheng Li, et al.The Journal of Physical Chemistry. A|September 2, 2008
A CASSCF and CASPT2 study on the excited states of s-trans-formaldazineCheng Luo, Xue-mei Duan, Jing-yao Liu, et al.Journal of Chemical Theory and Computation|December 8, 2015
Direct Dynamics Studies on the Hydrogen Abstraction Reactions of an F Atom with CH3X (X = F, Cl, and Br)Li Wang, Jing-Yao Liu, Ze-Sheng Li, et al.Physical Chemistry Chemical Physics : PCCP|March 1, 2022
Theoretical insights into photo-induced isomerization mechanisms of phenylsulfinyl radical PhSO˙Meng-Kai Liu, Jian Li, Quan-Song Li, et al.Journal of Computational Chemistry|March 23, 2002
Theoretical study on the mechanism of the gas-phase reaction of diborane(3) anion with carbon disulfideZheng-Wang Qu, Hui Zhu, Ze-Sheng Li, et al.Journal of Computational Chemistry|December 14, 2004
Theoretical study and rate constant calculation for the reactions of SH (SD) with Cl2, Br2, and BrClLi Wang, Jing-Yao Liu, Ze-Sheng Li, et al.Molecules (Basel, Switzerland)|January 21, 2023
Incorporation of a Boron-Nitrogen Covalent Bond Improves the Charge-Transport and Charge-Transfer Characteristics of Organoboron Small-Molecule Acceptors for Organic Solar CellsJie Yang, Wei-Lu Ding, Quan-Song Li, et al.Journal of Computational Chemistry|January 22, 2004
Direct ab initio dynamics studies on the hydrogen-abstraction reactions of OH radicals with HOX (X = F, Cl, and Br)Li Wang, Jing-Yao Liu, Ze-Sheng Li, et al.Pageof 14