A MOLLER-PLESSET STUDY OF THE ENERGIES OF AHN MOLECULES (A = LI TO F)

被引：144

作者：

POPLE, JA

FRISCH, MJ

LUKE, BT

BINKLEY, JS

机构：

[1] CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213

[2] SANDIA NATL LABS,DIV THEORET,LIVERMORE,CA 94550

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1983年

关键词：

D O I：

10.1002/qua.560240835

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：307 / 320

页数：14

共 23 条

[1] COMPARISON OF HIGH-ORDER MANY-BODY PERTURBATION-THEORY AND CONFIGURATION INTERACTION FOR H2O [J].

BARTLETT, RJ ;

SHAVITT, I .

CHEMICAL PHYSICS LETTERS, 1977, 50 (02) :190-198

[2] SOME RESEARCHES INTO PROBLEMS OF MOLECULAR-STRUCTURE AND CHEMICAL-REACTIVITY [J].

BENSON, SW .

JOURNAL OF PHYSICAL CHEMISTRY, 1981, 85 (23) :3375-3385

[3]

BINKLEY JS, COMMUNICATION

[4] THEORETICAL INVESTIGATION OF HEH+ [J].

BISHOP, DM ;

CHEUNG, LM .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1979, 75 (03) :462-473

[5] RIGOROUS THEORETICAL INVESTIGATION OF GROUND-STATE OF H-2 [J].

BISHOP, DM ;

CHEUNG, LM .

PHYSICAL REVIEW A, 1978, 18 (05) :1846-1852

[6] JANAF THERMOCHEMICAL TABLES, 1982 SUPPLEMENT [J].

CHASE, MW ;

CURNUTT, JL ;

DOWNEY, JR ;

MCDONALD, RA ;

SYVERUD, AN ;

VALENZUELA, EA .

JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 1982, 11 (03) :695-940

[7] EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F [J].

CLARK, T ;

CHANDRASEKHAR, J ;

SPITZNAGEL, GW ;

SCHLEYER, PV .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (03) :294-301

[8]

DEFREES DJ, 1979, J AM CHEM SOC, V101, P4085, DOI 10.1021/ja00509a013

[9] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS [J].

FRANCL, MM ;

PIETRO, WJ ;

HEHRE, WJ ;

BINKLEY, JS ;

GORDON, MS ;

DEFREES, DJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (07) :3654-3665

[10]

FRISCH MJ, 1982, CHEM PHYS LETT, V83, P240

← 1 2 3 →