BALANCE BETWEEN ELECTRONIC AND NUCLEAR-ENERGY IN CONFORMATIONAL CHANGE

被引：13

作者：

CSIZMADIA, IG

THEODORAKOPOULOS, G

SCHLEGEL, HB

WHANGBO, MH

WOLFE, S

机构：

[1] UNIV TORONTO,DEPT CHEM,TORONTO M5S 1A1,ONTARIO,CANADA

[2] QUEENS UNIV,DEPT CHEM,KINGSTON K7L 3N6,ONTARIO,CANADA

来源：

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE | 1977年 / 55卷 / 06期

关键词：

D O I：

10.1139/v77-138

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：986 / 991

页数：6

共 19 条

[1] STUDY OF ELECTRONIC-STRUCTURE OF MOLECULES .17. ANALYSIS OF FORMATION OF ACETYLENE, ETHYLENE, AND ETHANE MOLECULES IN HARTREE-FOCK MODEL [J].

CLEMENTI, E ;

POPKIE, H .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (11) :4870-&

[2]

COLPA JHP, IN PRESS

[3]

COWLEY AH, TO BE PUBLISHED

[4] ROTATIONAL BARRIERS IN HYDROGEN PEROXIDE [J].

DAVIDSON, RB ;

ALLEN, LC .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) :519-&

[5] CONFIGURATION INTERACTION WAVEFUNCTIONS AND COMPUTED INVERSION BARRIERS FOR NH3 AND CH3- [J].

KARI, RE ;

CSIZMADIA, IG .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (09) :4337-+

[6]

LEHN JM, 1970, FORTSCHR CHEM FORSCH, V15, P311

[7]

Lowe J. P., 1968, PROGR PHYS ORG CHEM, V6, P1

[8] BARRIER TO INTERNAL-ROTATION IN ETHANE [J].

LOWE, JP .

SCIENCE, 1973, 179 (4073) :527-532

[9] WOODWARD-HOFFMANN APPROACH, EXTENDED HUCKEL METHOD, AND BARRIER TO RIGID INTERNAL-ROTATION IN ETHANE [J].

LOWE, JP .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (12) :3759-3764

[10] THEORETICAL-STUDY ON STEREOCHEMISTRY AND PROTONATION OF - CH2-NO2 [J].

MEZEY, PG ;

KRESGE, AJ ;

CSIZMADIA, IG .

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1976, 54 (16) :2526-2533

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