A SIMPLE PERTURBATIONAL APPROACH FOR THE DETERMINATION OF FAVORABLE REACTION PATHWAYS

被引：2

作者：

BACHLER, V ^{[1
]}

HALEVI, EA ^{[1
]}

机构：

[1] TECHNION ISRAEL INST TECHNOL,DEPT CHEM,HAIFA,ISRAEL

来源：

THEORETICA CHIMICA ACTA | 1983年 / 63卷 / 02期

关键词：

D O I：

10.1007/BF00548014

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

收藏

页码：83 / 101

页数：19

相关论文

共 26 条

[1] AYRES F, 1962, OUTLINE THEORY PROBL, P33
[2] SYMMETRY ANALYSIS OF THE POTENTIAL-ENERGY SURFACES FOR THE PHOTOCHEMICAL DECOMPOSITION OF FORMALDEHYDE
BACHLER, V
HALEVI, EA
[J]. THEORETICA CHIMICA ACTA, 1981, 59 (06): : 595 - 602
[3] BALLHAUSEN CJ, 1962, INTRODUCTION LIGAND, P193
[4] MOLECULAR GEOMETRY AND MULLIKEN-WALSH MOLECULAR-ORBITAL MODEL - AB-INITIO STUDY
BUENKER, RJ
PEYERIMH.SD
[J]. CHEMICAL REVIEWS, 1974, 74 (02) : 127 - 188
[5] Englman R, 1972, JAHN TELLER EFFECT M
[6] MECHANISM OF REACTION H2+D2-!2HD - A SIMPLE MOLECULAR ORBITAL DESCRIPTION
GIMARC, BM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (05) : 1623 - &
[7] ORBITAL CORRESPONDENCE ANALYSIS IN MAXIMUM SYMMETRY
HALEVI, EA
[J]. HELVETICA CHIMICA ACTA, 1975, 58 (07) : 2136 - 2151
[8] HALEVI EA, 1977, INT J QUANTUM CHEM, V12, P289
[9] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
HEHRE, WJ
STEWART, RF
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) : 2657 - +
[10] TRANSITION STATE FOR HYDROGEN-IODINE AND HYDROGEN EXCHANGE REACTIONS
HOFFMANN, R
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (08) : 3739 - &