Quantum-mechanical tunneling in the H $_{2}$ elimination from 2,3-dimethylbutane cation: (CH $_{3}$ ) $_{2}$ CHCH(CH $_{3}$ ) $_{2+}$ (CH $_{3}$ ) $_{2}$ C=C(CH $_{3}$ ) $_{2+}$ +H $_{2}$ ; An ab initio molecular orbital study

Kurosaki, Yuzuru*; Takayanagi, Toshiyuki; Miyazaki, Tetsuro*

no abstracts in English

Language	:	English
Journal	:	Journal of Molecular Structure; THEOCHEM
Volume	:	452
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Pages	:	p.209 - 218
Publication Year/Month	:	1998/00
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Keywords	:	H $_{2}$ 脱離反応; 有機ラジカルカチオン; トンネル効果; 非経験的分子軌道法; 遷移状態理論; 熱反応速度定数
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Registration No. : A19970419
JAEA Abstracts No. : 270051
Paper Submission No. : 16027

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Quantum-mechanical tunneling in the H elimination from 2,3-dimethylbutane cation: (CH)CHCH(CH)(CH)C=C(CH)+H; An ab initio molecular orbital study

Quantum-mechanical tunneling in the H $_{2}$ elimination from 2,3-dimethylbutane cation: (CH $_{3}$ ) $_{2}$ CHCH(CH $_{3}$ ) $_{2+}$ (CH $_{3}$ ) $_{2}$ C=C(CH $_{3}$ ) $_{2+}$ +H $_{2}$ ; An ab initio molecular orbital study