Ab initio molecular orbital study of the C $_{2}$ H $_{4}$ +Cl $_{2}$ C $_{2}$ H $_{4}$ Cl $_{2}$ reaction

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Language	:	English
Journal	:	Journal of Molecular Structure; THEOCHEM
Volume	:	503
Number	:	3
Pages	:	p.231 - 240
Publication Year/Month	:	2000/05
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Keywords	:	非経験的分子軌道法; 密度汎関数法; IRC; 塩素化反応; 遷移状態; 溶媒効果
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Registration No. : A19980513
JAEA Abstracts No. : 280635
Paper Submission No. : 17593

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Ab initio molecular orbital study of the CH+ClCHCl reaction

Ab initio molecular orbital study of the C $_{2}$ H $_{4}$ +Cl $_{2}$ C $_{2}$ H $_{4}$ Cl $_{2}$ reaction