STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .9. HARTREE-FOCK ENERGY SURFACE FOR H2O-LIF COMPLEX

被引：32

作者：

KRESS, JW

CLEMENTI, E

KOZAK, JJ

SCHWARTZ, ME

机构：

[1] IBM CORP,RES LAB,MONTEREY & COTTLE RD,SAN JOSE,CA 95193

[2] UNIV NOTRE DAME,DEPT CHEM,NOTRE DAME,IN 46556

来源：

JOURNAL OF CHEMICAL PHYSICS | 1975年 / 63卷 / 09期

关键词：

D O I：

10.1063/1.431832

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：3907 / 3928

页数：22

共 24 条

[1] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .13. BOND ENERGY ANALYSIS FOR ETHANE MOLECULE [J].

CLEMENTI, E ;

NIESSEN, WV .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :521-&

[2] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .14. POINT CHARGE PERTURBATION ON PERIODIC SYSTEMS [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (06) :2492-&

[3] STUDY OF ELECTRONIC-STRUCTURE OF MOLECULES .15. COMMENTS ON MOLECULAR-ORBITAL VALENCY STATE AND ON MOLECULAR-ORBITAL ENERGIES [J].

CLEMENTI, E ;

ROUTH, A .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1972, 6 (03) :525-&

[4] COMPUTATION OF LARGE MOLECULES WITH HARTREE-FOCK MODEL [J].

CLEMENTI, E .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1972, 69 (10) :2942-&

[5] BARRIER TO INTERNAL ROTATION IN ETHANE [J].

CLEMENTI, E ;

DAVIS, DR .

JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (07) :2593-+

[6] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .I. MOLECULAR WAVEFUNCTIONS AND THEIR ANALYSIS [J].

CLEMENTI, E .

JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (10) :3842-&

[7] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .9. REMARKS ON CYANO GROUP [J].

CLEMENTI, E ;

KLINT, D .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (11) :4899-&

[8] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .1. ENERGY SURFACE OF A WATER MOLECULE IN FIELD OF A LITHIUM POSITIVE-ION [J].

CLEMENTI, E ;

POPKIE, H .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (03) :1077-&

[9]

Clementi E., 1966, J COMPUT PHYS, V1, P223

[10]

CLEMENTI E, 1971, RJ883 IBM TECH REP

← 1 2 3 →