AB initio calculation of the structure of the CO3 molecule

被引：16

作者：

Cornille, M. ^{[1
,2
]}

Horsley, J. ^{[2
,3
]}

机构：

[1] Fac Sci, Lab Diffract Elect, Orsay, France

[2] Fac Sci, CECAM, Orsay, France

[3] Fac Sci, Photophys Mol Lab, Orsay, France

来源：

CHEMICAL PHYSICS LETTERS | 1970年 / 6卷 / 04期

关键词：

D O I：

10.1016/0009-2614(70)85097-7

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：

Ab initio calculations have been carried out for a number of possible structures of the CO3 molecule. A C-2V structure was calculated to have the lowest energy.

引用

页码：373 / 374

页数：2

共 7 条

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[6] GEOMETRY OPTIMIZATION IN COMPUTATION OF BARRIERS TO INTERNAL ROTATION
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[7] REACTION OF O(1D) WITH CO2 AT LOW TEMPERATURES
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (05) : 1764 - +

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