AB-INITIO INVESTIGATION OF HCO+ AND COH+ MOLECULE-IONS - STRUCTURE AND POTENTIAL SURFACES FOR DISSOCIATION IN GROUND AND EXCITED-STATES

被引：94

作者：

BRUNA, PJ ^{[1
]}

PEYERIMHOFF, SD ^{[1
]}

BUENKER, RJ ^{[1
]}

机构：

[1] UNIV BONN,LEHRSTUHL THEORET CHEM,53 BONN,FED REP GER

来源：

CHEMICAL PHYSICS | 1975年 / 10卷 / 2-3期

关键词：

D O I：

10.1016/0301-0104(75)87046-7

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：323 / 334

页数：12

相关论文

共 23 条

[1] BOYS SF, 1966, QUANTUM THEORY ATOMS, P253
[2] BRUNA PJ, IN PRESS
[3] Ab initio SCF calculations for azulene and naphthalene
Buenker, R. J.
Peyerimhoff, S. D.
[J]. CHEMICAL PHYSICS LETTERS, 1969, 3 (01) : 37 - 42
[4] GEOMETRY OF MOLECULES .3. F2O LI2O FOH LIOH
BUENKER, RJ
PEYERIMHOFF, SD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (10) : 3682 - +
[5] MOLECULAR GEOMETRY AND MULLIKEN-WALSH MOLECULAR-ORBITAL MODEL - AB-INITIO STUDY
BUENKER, RJ
PEYERIMH.SD
[J]. CHEMICAL REVIEWS, 1974, 74 (02) : 127 - 188
[6] ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS
CADE, PE
SALES, KD
WAHL, AC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) : 1973 - &
[7] MO SCF studies of the protonation of carbon monoxide and the netrogen molecule using gaussian basis sets
Forsen, S.
Roos, B.
[J]. CHEMICAL PHYSICS LETTERS, 1970, 6 (03) : 128 - 132
[8] CANONICAL CONFIGURATIONAL INTERACTION PROCEDURE
FOSTER, JM
BOYS, SF
[J]. REVIEWS OF MODERN PHYSICS, 1960, 32 (02) : 300 - 302
[9] HERBST E, 1973, ASTROPHYS J, V185, P105
[10] THEORETICAL STUDY ON PROTON AFFINITY OF SMALL MOLECULES USING GAUSSIAN BASIS SETS IN LCAO-MO-SCF FRAMEWORK
HOPKINSO.AC
HOLBROOK, NK
YATES, K
CSIZMADI.IG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (08) : 3596 - &