The CNDO geometry of ethylene in the first singlet excited state

被引：10

作者：

Kirby, G. H. ^{[1
]}

Miller, K. ^{[1
]}

机构：

[1] Univ Reading, Dept Chem, Reading, Berks, England

来源：

CHEMICAL PHYSICS LETTERS | 1969年 / 3卷 / 08期

关键词：

D O I：

10.1016/0009-2614(69)85131-6

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：

Approximate open shell SCF MO theory in the CNDO/2 scheme confirms the 90 twisted geometry of singlet excited ethylene and gives values of 114 degrees for angle HCH and 1.38 angstrom for r(CC)'.

引用

页码：643 / 645

页数：3

共 13 条

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