MCSCF POTENTIAL-ENERGY SURFACE FOR THE HIGH BARRIER ADIABATIC 14-SIGMA-PATHWAY OF THE O+(S-4)+N2(X1-SIGMA-G+)-]NO+(X1-SIGMA+)+N(S-4) REACTION

被引：22

作者：

HOPPER, DG

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1980年 / 72卷 / 06期

关键词：

D O I：

10.1063/1.439578

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：

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页码：3679 / 3685

页数：7

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共 19 条

[1] ENERGY DEPENDENCE OF REACTIONS O+ WITH N2 O2-I - DRIFT TUBE MEASUREMENTS
BOHME, DK
ONG, PP
HASTED, JB
MEGILL, LR
[J]. PLANETARY AND SPACE SCIENCE, 1967, 15 (11) : 1777 - &
[2] FLOWING AFTERGLOW STUDIES OF ION-MOLECULE ASSOCIATION REACTIONS
BOHME, DK
BUNKIN, DB
FEHSENFELD, FC
FERGUSON, EE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (03) : 863 - +
[3] MULTICONFIGURATION SELF-CONSISTENT FIELD (MCSCF) THEORY FOR EXCITED-STATES
DAS, G
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (11) : 5104 - 5110
[4] DAS G, COMMUNICATION
[5] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +
[6] GIESE CF, 1966, ADV CHEM SER
[7] GILMORE FR, 1972, DNA REACTION RATE HD, pCH10
[8] MECHANISMS OF REACTION OF POSITIVE ATOMIC OXYGEN IONS WITH NITROGEN
HOPPER, DG
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (04) : 1019 - 1029
[9] AB-INITIO STUDY OF N2O+. ANGULAR-DEPENDENCE OF 1A-4''(PI-4) POTENTIAL
HOPPER, DG
[J]. CHEMICAL PHYSICS LETTERS, 1975, 31 (03) : 446 - 450
[10] ABINITIO STUDIES OF ION-MOLECULE REACTIONS - N2O+(A4A'') POTENTIAL-ENERGY HYPERSURFACE FOR THE O+(N2,N)NO+ REACTION
HOPPER, DG
[J]. JOURNAL DE PHYSIQUE, 1979, 40 : 79 - 80