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The Journal of Physical Chemistry. A|September 15, 2009
An ab initio/rice--Ramsperger--Kassel--Marcus study of the reactions of propenols with OH. Mechanism and kinetics of H abstraction channelsChong-Wen Zhou, Alexander M Mebel, Xiang-Yuan Li
Physical Chemistry Chemical Physics : PCCP|May 3, 2018
Solvent effects for vertical absorption and emission processes in solution using a self-consistent state specific method based on constrained equilibrium thermodynamicsTing-Jun Bi, Long-Kun Xu, Fan Wang, et al.
Physical Chemistry Chemical Physics : PCCP|March 20, 2012
A modified two-sphere model for solvent reorganization energy in electron transferHan-Yu Wu, Hai-Sheng Ren, Quan Zhu, et al.
Journal of Computational Chemistry|March 11, 2004
Continuous medium theory for nonequilibrium solvation: II. Interaction energy between solute charge and reaction field and single-sphere model for spectral shiftXiang-Yuan Li, Ke-Xiang Fu, Quan Zhu, et al.
The Journal of Physical Chemistry. A|July 31, 2013
Theoretical calculation of reorganization energy for electron self-exchange reaction by constrained density functional theory and constrained equilibrium thermodynamicsHai-Sheng Ren, Mei-Jun Ming, Jian-Yi Ma, et al.
Journal of Computational Chemistry|October 1, 2008
Accurate prediction of thermodynamic properties of alkyl peroxides by combining density functional theory calculation with least-square calibrationCun-Xi Liu, Ze-Rong Li, Chong-Wen Zhou, et al.
The Journal of Chemical Physics|April 20, 2005
Time-dependent density functional theory study on intramolecular charge transfer and solvent effect of dimethylaminobenzophenoneXiao-Hui Duan, Xiang-Yuan Li, Rong-Xing He, et al.
The Journal of Chemical Physics|December 24, 2008
An ab initio/Rice-Ramsperger-Kassel-Marcus prediction of rate constant and product branching ratios for unimolecular decomposition of propen-2-ol and related H + CH2COHCH2 reactionChong-Wen Zhou, Ze-Rong Li, Cun-Xi Liu, et al.
The Journal of Chemical Physics|July 23, 2004
Investigation of photoinduced electron transfer in model system of vitamin E-duroquinone by time-dependent density functional theoryXiao-Hui Duan, Ze-Rong Li, Xiang-Yuan Li, et al.
Plos One|July 23, 2014
Tai Chi for improvement of motor function, balance and gait in Parkinson's disease: a systematic review and meta-analysisYan Yang, Xiang-Yuan Li, Li Gong, et al.
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