ABINITIO MO CALCULATIONS ON THE STABLE STRUCTURES AND BINDING-ENERGIES OF H+-CO AND H+-N2, LI+-CO AND LI+-N2, NA+-CO AND NA+-N2, K+-CO AND K+-N2 IONS

被引：36

作者：

IKUTA, S

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1984年 / 109卷 / 06期

关键词：

D O I：

10.1016/0009-2614(84)85422-6

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：550 / 553

页数：4

共 21 条

[11] ABINITIO CALCULATIONS ON THE CLUSTERING ENERGIES AND STABLE STRUCTURES OF H(CO)+(+)CO-]H(CO)2(+),H(N2)+(+)N2-]H(N2)2(+) [J].

IKUTA, S .

CHEMICAL PHYSICS LETTERS, 1981, 77 (02) :369-372

[12]

IKUTA S, UNPUB J COMPUT CHEM

[13] APPROXIMATE 4TH-ORDER PERTURBATION-THEORY OF ELECTRON CORRELATION ENERGY [J].

KRISHNAN, R ;

POPLE, JA .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (01) :91-100

[14] CONTRIBUTION OF TRIPLE SUBSTITUTIONS TO THE ELECTRON CORRELATION-ENERGY IN 4TH ORDER PERTURBATION-THEORY [J].

KRISHNAN, R ;

FRISCH, MJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (07) :4244-4245

[15]

MCLEAN AD, 1967, IBM J RES DEV S

[16]

POPLE JA, 1977, INT J QUANTUM CHEM, P149

[17]

POPLE JA, 1977, ELECTRONIC STRUCTURE, P1

[18] AB INITIO CALCULATION OF FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN POLYATOMIC MOLECULES .I. THEORY [J].

PULAY, P .

MOLECULAR PHYSICS, 1969, 17 (02) :197-&

[19] ORIGIN OF ALKYL SUBSTITUENT EFFECT IN PROTON AFFINITY OF AMINES, ALCOHOLS, AND ETHERS [J].

UMEYAMA, H ;

MOROKUMA, K .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (15) :4400-4404

[20] GAUSSIAN BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING THIRD-ROW ATOMS [J].

WACHTERS, AJ .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (03) :1033-&

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