Xiang-Yuan Li

2009
11	EE	Cun-Xi Liu, Ze-Rong Li, Chong-Wen Zhou, Xiang-Yuan Li: Accurate prediction of thermodynamic properties of alkyl peroxides by combining density functional theory calculation with least-square calibration. Journal of Computational Chemistry 30(7): 1007-1015 (2009)
2008
10	EE	Jian-Yi Ma, Jing-Bo Wang, Xiang-Yuan Li, Yao Huang, Quan Zhu, Ke-Xiang Fu: A study on orientation and absorption spectrum of interfacial molecules by using continuum model. Journal of Computational Chemistry 29(2): 198-210 (2008)
2006
9	EE	Ke-Xiang Fu, Quan Zhu, Xiang-Yuan Li, Zhen Gong, Jian-Yi Ma, Rong-Xing He: Continuous medium theory for nonequilibrium solvation: IV. Solvent reorganization energy of electron transfer based on conductor-like screening model. Journal of Computational Chemistry 27(3): 368-374 (2006)
2005
8	EE	Quan Zhu, Ke-Xiang Fu, Xiang-Yuan Li, Zhen Gong, Jian-Yi Ma: Continuous medium theory for nonequilibrium solvation: III. Solvation shift by monopole approximation and multipole expansion in spherical cavity. Journal of Computational Chemistry 26(4): 399-409 (2005)
2004
7	EE	Xiang-Yuan Li, Ke-Xiang Fu: Continuous medium theory for nonequilibrium solvation: I. How to correctly evaluate solvation free energy of nonequilibrium. Journal of Computational Chemistry 25(4): 500-509 (2004)
6	EE	Xiang-Yuan Li, Ke-Xiang Fu, Quan Zhu, Min-Hua Shan: Continuous medium theory for nonequilibrium solvation: II. Interaction energy between solute charge and reaction field and single-sphere model for spectral shift. Journal of Computational Chemistry 25(6): 835-842 (2004)
2002
5	EE	Xiang-Yuan Li, Chun-Xiu Hu: Theoretical investigation of electron transfer transition in tetracyanoethylene-contained organic complexes. Journal of Computational Chemistry 23(9): 874-886 (2002)
2001
4	EE	Xiang-Yuan Li, Ji-Feng Liu: A theoretical study of solvent effect and reaction mechanism of electron transfer reaction between indole side chain and phenol side chain of peptide involving tryptophan and tyrosine. Journal of Computational Chemistry 22(10): 1067-1081 (2001)
3	EE	Xiang-Yuan Li: Electron transfer between tryptophan and tyrosine: Theoretical calculation of electron transfer matrix element for intramolecular hole transfer. Journal of Computational Chemistry 22(6): 565-579 (2001)
1999
2	EE	Xiang-Yuan Li, Fu-Cheng He: Electron transfer between biphenyl and biphenyl anion radicals: Reorganization energies and electron transfer matrix elements. Journal of Computational Chemistry 20(6): 597-603 (1999)
1996
1	EE	Xiang-Yuan Li, An-Min Tian, Fu-Cheng He, Guo-Sen Yan: Electron transfer integral between two zero-overlap states. Journal of Computational Chemistry 17(9): 1108-1111 (1996)

Coauthor Index

1	Ke-Xiang Fu	[6] [7] [8] [9] [10]
2	Zhen Gong	[8] [9]
3	Fu-Cheng He	[1] [2]
4	Rong-Xing He	[9]
5	Chun-Xiu Hu	[5]
6	Yao Huang	[10]
7	Ze-Rong Li	[11]
8	Cun-Xi Liu	[11]
9	Ji-Feng Liu	[4]
10	Jian-Yi Ma	[8] [9] [10]
11	Min-Hua Shan	[6]
12	An-Min Tian	[1]
13	Jing-Bo Wang	[10]
14	Guo-Sen Yan	[1]
15	Chong-Wen Zhou	[11]
16	Quan Zhu	[6] [8] [9] [10]

Colors in the list of coauthors