FORMALDEHYDE - ABINITIO MCSCF+CL TRANSITION-STATE FOR H2CO-]CO+ H-2 ON THE S0 SURFACE

被引：103

作者：

DUPUIS, M ^{[1
]}

LESTER, WA ^{[1
]}

LENGSFIELD, BH ^{[1
]}

LIU, B ^{[1
]}

机构：

[1] IBM CORP,SAN JOSE,CA 95193

来源：

JOURNAL OF CHEMICAL PHYSICS | 1983年 / 79卷 / 12期

关键词：

D O I：

10.1063/1.445799

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：6167 / 6173

页数：7

共 22 条

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[7] FEATURES OF THE H2CO POTENTIAL-ENERGY HYPERSURFACE PERTINENT TO FORMALDEHYDE PHOTO-DISSOCIATION
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (07) : 3459 - 3465
[8] PHOTO-DISSOCIATION OF FORMALDEHYDE - POTENTIAL-ENERGY SURFACE-FEATURES
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[9] MOLLER-PLESSET STUDY OF THE H4CO POTENTIAL-ENERGY SURFACE
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[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1980, 84 (25) : 3394 - 3401
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