Xiaoyuan Fu

发表

An ab initio study on photodissociation of acetone

W. Fang, Dan Liu, Xiaoyuan Fu, 2000 .

Ab initio studies on the mechanism of the cycloaddition reaction between ketene imine and formaldehyde — catalytic and solvent effects

D. Fang, Xiaoyuan Fu, 1996 .

CASSCF and CAS+1+2 Studies on the Potential Energy Surface and the Rate Constants for the Reactions between CH2 and O2

D. Fang, Xiaoyuan Fu, 2002 .

Theoretical Studies on the Dynamic Properties of the Reaction NH2 + H .fwdarw. NH + H2

Zhenfeng Xu, D. Fang, Xiaoyuan Fu, 1995 .

Structure and stability of ammonium-sulfate and guanidium-sulfate complex

I. Csizmadia, D. Fang, T. Tang, 1998 .

Theoretical studies on nucleophilic vinylic fluoride substitution

T. Tang, Xiaoyuan Fu, 1997 .

Electron affinities of the bromine oxides BrOn, n = 1-4

H. Schaefer III, Yaoming Xie, Yan Wang, 2000 .

Ab initio studies of hydrogen bond formation in methyl cyanide or methyl isocyanide and methanol systems

T. Tang, Xiaoyuan Fu, 1983 .

Hydrogen-bonded dimers with methanol as a proton donor: Ab initio MO studies

T. Tang, Xiaoyuan Fu, Jiang-Guo Yu, 1984 .

The infrared spectrum of the nitric oxide dimer cation: Problems for density functional theory and a muddled relationship to experiment

H. Schaefer, Yaoming Xie, Xiaoyuan Fu, 1999 .

DFT studies on the mechanism of the cycloaddition reaction between methyleneketene and 5-methylene-1,3-dioxan-4,6-dione: regioselectivity and solvent effect

Yuansheng Jiang, Y. Sheng, Yun-Dong Wu, 1999 .

Theoretical studies on the bonding characteristics and charge topology of a ketene–pyridine ylide

D. Fang, Xiaoyuan Fu, 1998 .

Ab initio studies on the mechanism of the fluoroketene-imine cycloaddition reaction: Via agauche ortrans intermediate

D. Fang, Xiaoyuan Fu, 1996 .

Potential energy profile of a full catalytic cycle of olefin hydrogenation by the Wilkinson catalyst

K. Morokuma, N. Koga, C. Daniel, 1987 .

Ab initio studies on the mechanism of cycloaddition reactions of isocyanates and ethylene

Zhenfeng Xu, D. Fang, Xiaoyuan Fu, 1995 .

Ab initio studies on the mechanism of the cycloaddition reaction of fluoroketene with imines: substituent effects

Zhenfeng Xu, D. Fang, Xiaoyuan Fu, 1994 .

Ab initio study on the mechanism of cycloaddition reaction of ketene with methylenimine : a new reaction scheme

D. Fang, Xiaoyuan Fu, 1992 .

Ab initio MO study of the full catalytic cycle of olefin hydrogenation by the Wilkinson catalyst RhCl(PR3)3

K. Morokuma, N. Koga, C. Daniel, 1988 .

DFT studies on the mechanism of the 1,3–dipolar cycloaddition reaction between methyleneketene and pyrroline–1–oxide

Yuansheng Jiang, Y. Sheng, Yun-Dong Wu, 1999 .

A quantum chemical study on the mechanism of HCN oligomerization

Xiang-guang Qu, Xiaoyuan Fu, San-Guo Hong, 1992 .

Tung oil-Pyrogallic Acid Resin (TPA) and Its Application to a Positive Photoresist

F. Wang, Shangxian Yu, Xiaoyuan Fu, 1989 .

Catalytic and substituent effects on cycloaddition reactions between isocyanates and aldehydes

D. Fang, Xiaoyuan Fu, 1999 .

Theoretical study of structures and energies of [HCOO]+ and [COOH]+ and their rearrangement

K. Morokuma, K. Yamashita, Jian-Guo Yu, 1986 .

Ab initio studies on the pyrolysis mechanism of 2-haloacetic acids in the gas phase

Guangju Chen, Xiaoyuan Fu, Li‐Tao Chen, 2010 .

Theoretical studies on the mechanism of α‐hydroxy‐acid gas‐phase elimination process and its substituent effect

Wei Song, Xiaoyuan Fu, Shaoren He, 2010 .

The rotation–vibration coupling equations for polyatomic molecules in internal coordinates

Guangju Chen, Xiaoyuan Fu, A. Tang, 1992 .

Ab initio studies on the IRC and rate constant of the reaction between acetylene and the hydrogen atom

D. Fang, Xiaoyuan Fu, 1994 .

The photodissociation of N,N-dimethylformamide: A complete active space self-consistent field study

W. Fang, Zhenyang Lin, Dan Liu, 2002 .

Theoretical study on the reaction mechanism of the alcoholysis of isocyanates

Xiaoyuan Fu, M. Tang, 1992 .

Ab initio studies on the mechanism of cycloaddition reactions of isocyanic acid and methylenimine

D. Fang, Xiaoyuan Fu, 1996 .

Ab initio molecular orbital study of the mechanism of photodissociation of formamide

W. Fang, Dan Liu, Xiaoyuan Fu, 2000 .

Theoretical studies on the elimination of hydrogen fluoride from alkyl fluoride and its substituent effect

D. Fang, Xiaoyuan Fu, Qing-Ming Li, 1996 .

Ab Initio Studies on the Dynamical Properties of the Reaction NH(X3Σ-) + H → N(4S) + H2

De-Cai Fang, Zhenfeng Xu, D. Fang, 1997 .

Ab initio modelling of peptide biosynthesis

I. Csizmadia, D. Fang, T. Tang, 1998 .

Electron distribution in cationic fragments generated mass spectrometrically from peptides

I. Csizmadia, A. G. Harrison, D. Fang, 1999 .

Ab initio study on the reaction 2NH(X3Σ−) → NH2(X2B1) + N(4S)

Zhenfeng Xu, D. Fang, Xiaoyuan Fu, 1997 .

Theoretical studies on the substitution effect of fluorine on ethylene

W. Cao, Jingchang Zhang, Xiaoyuan Fu, 2010 .

Ab initio studies on the thermolysis of azetidine

Guangju Chen, Xiaoyuan Fu, A. Tang, 2010 .

Ab initio study on the reaction 2NH2→NH+NH3

Zhenfeng Xu, D. Fang, Xiaoyuan Fu, 1998 .

MCSCF study on the IRC and the dynamic properties of the dehydrogenation reaction of vinyl radicals

D. Fang, Xiaoyuan Fu, 1994 .