Xiang-Yuan Li

	2011
14		Hua-Qing Yang, Chang-Wei Hu, Chao Gao, Meng-Yao Yang, Fang-Ming Li, Cai-Qin Li, Xiang-Yuan Li: Theoretical study on the gas-phase reaction mechanism between palladium monoxide and methane. Journal of Computational Chemistry 32(16): 3440-3455 (2011)
	2010
13		Cun-Xi Liu, Hai-Xia Wang, Ze-Rong Li, Chong-Wen Zhou, Hanbing Rao, Xiang-Yuan Li: Accurate prediction of enthalpies of formation for a large set of organic compounds. Journal of Computational Chemistry 31(14): 2585-2592 (2010)
12		Hanbing Rao, Ze-Rong Li, Xiang-Yuan Li, Xiao Hua Ma, Choong Yong Ung, Hu Li, Xianghui Liu, Yu Zong Chen: Identification of small molecule aggregators from large compound libraries by support vector machines. Journal of Computational Chemistry 31(4): 752-763 (2010)
	2009
11		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		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		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		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		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		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		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		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		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		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		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	Yu Zong Chen	[12]
2	Ke-Xiang Fu	[6] [7] [8] [9] [10]
3	Chao Gao	[14]
4	Zhen Gong	[8] [9]
5	Fu-Cheng He	[1] [2]
6	Rong-Xing He	[9]
7	Chang-Wei Hu	[14]
8	Chun-Xiu Hu	[5]
9	Yao Huang	[10]
10	Cai-Qin Li	[14]
11	Fang-Ming Li	[14]
12	Hu Li	[12]
13	Ze-Rong Li	[11] [12] [13]
14	Cun-Xi Liu	[11] [13]
15	Ji-Feng Liu	[4]
16	Xianghui Liu	[12]
17	Jian-Yi Ma	[8] [9] [10]
18	Xiao Hua Ma	[12]
19	Hanbing Rao	[12] [13]
20	Min-Hua Shan	[6]
21	An-Min Tian	[1]
22	Choong Yong Ung	[12]
23	Hai-Xia Wang	[13]
24	Jing-Bo Wang	[10]
25	Guo-Sen Yan	[1]
26	Hua-Qing Yang	[14]
27	Meng-Yao Yang	[14]
28	Chong-Wen Zhou	[11] [13]
29	Quan Zhu	[6] [8] [9] [10]

Colors in the list of coauthors

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