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	题名	作者	年代	出处	被引量
1	A generalized Kohn-Sham theory for low-energy electron scattering by atoms including relativistic effects显示文摘	HABERLAND R AND FRITSCHE L	1986	Int J Quantum Chem:Quantum Chem Symp1986，，20：	1
2	显示文摘	Gao X L Feng J K Sun C C	1992	Int J Quantum Chem1992，42，：	1
3	Theoretical study of fullerene derivatives: C28H4 and G28X4 duster molecules显示文摘	Lu L H Sun K C Chen C	1998	Int J Quantum Chem1998，67，3：	1
4	Resistance distance in graphs and random walks显示文摘	Palacios J L	2001	Int J Quantum Chem2001，81，：	1
5	Density-func- tional method for very large systems with LCAO basis sets 显示文摘	Sanchez-Portal D Ordejon P Soler J M	1997	Int J Quantum Chem1997，65，：	1
6	Moeller-Plesset Theory for Atomic Ground State Energies 显示文摘	Binkley J S Pople J A	1975	Int J Quantum Chem1975，9，2：	1
7	Formalism for electron-exchange kinetics in aqueous solution and the role of Ab initio techniques in their implementation显示文摘		1980	Int J Quantum Chem Quantum Chem Symp1980，14，：	1
8	Electronic structure,properties,and phase stability of inorganic crystals:a pseudopotential plane-wave study显示文摘	Milman V Winlder B White J A	2000	Int J Quantum Chem2000，77，：	1
9	Resistance distance and Kirchhoff index in circulant graphs 显示文摘	Zhang Heping Yang Yujun	2007	Int J Quantum Chem2007，107，：	1
10	Application of second-order density functional methods to the calculation of the LiFH potential energy surface显示文摘	SUAREZ C AGUADO A TABLERO C	1994	Int J Quantum Chem1994，52，4：	1
11	Relationship between the molecular structure and the anticancer activity of N- (2-chloroethyl)-N '-cyclohexyl-N-nitrosoureas: a theoretical investigation 显示文摘	Cao J Zhao L J Jin S B	2012	Int J Quantum Chem2012，112，3：	1
12	Electronic structure, properties, and phase stability of inorganic crystals: A pseu- dopotential plane-wave study显示文摘	Milman V Winkler B White J A	2000	Int J Quantum Chem2000，77，5：	1
13	Ab initio SCF calculations on ^6- : A benchmark for the classical calculation and processing of molecular integrals on large Gaussian basis sets 显示文摘	Rohmer M M Emenwein R Ulmsehneider M	1991	Int J Quantum Chem1991，40，：	1
14	Theoretical study of fullerene derivatives: C40 H4 and C40 X4 cluster molecules 显示文摘	Lu L H Chen C Sun K C	1998	Int J Quantum Chem1998，68，4：	1
15	Moeller-Plesset theory for atomic ground state energies 显示文摘	BINKLEY J S POPLE J A	1975	Int J Quantum Chem1975，9，2：	1
16	The use of localized molecular orbitals and the polarization propagator to identify transmission mechanisms in nuclear spin-spin couplings显示文摘	DizAC Ruizde Azua M C Girbet CG	1990	Int J Quantum Chem1990，37，：	1
17	Generation of an isolated sub-100 attosecond pulse in a two-color laser field显示文摘	Guo Y H Lu R F Hall K L	2009	Int J Quantum Chem2009，109，：	1
18	Intramolecular proton transfer in monohydrated tautomers of cytosine: An ab inifio post- Hartree-Fock study 显示文摘	Gorb L Leszczynski J	1998	Int J Quantum Chem1998，70，4：	1
19	Effect of trimethylsilyl substitution on the structure and properties of phthalocya-nine:A density functional theory study显示文摘	Gong X D Xiao H M Gao P	2002	Int J Quantum Chem2002，88，3：	1
20	Comparisons of the theoretical calculation of nitrogen clusters by semiempirical MO method显示文摘	Chen C Sun K C	1996	Int J Quantum Chem1996，60，7：	1

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