Theoretical study of an isotope effect on rate constants for the CH $_{3}$ +H $_{2}$ CH $_{4}$ +H and CD $_{3}$ +H $_{2}$ CD $_{3}$ H+H reactions using variational transition state theory and the multidimensional semiclassical tunneling method

Kurosaki, Yuzuru*; Takayanagi, Toshiyuki

no abstracts in English

Language	:	English
Journal	:	Journal of Chemical Physics
Volume	:	110
Number	:	22
Pages	:	p.10830 - 10842
Publication Year/Month	:	1999/06
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Paper URL	:	https://doi.org/10.1063/1.479025
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Keywords	:	遷移状態理論; 多次元トンネリング; 同位体効果; 非経験的分子軌道法; メチルラジカル; 固体水素
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Registration No. : A19980565
JAEA Abstracts No. : 270912
Paper Submission No. : 16707

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Theoretical study of an isotope effect on rate constants for the CH+HCH+H and CD+HCDH+H reactions using variational transition state theory and the multidimensional semiclassical tunneling method

Theoretical study of an isotope effect on rate constants for the CH $_{3}$ +H $_{2}$ CH $_{4}$ +H and CD $_{3}$ +H $_{2}$ CD $_{3}$ H+H reactions using variational transition state theory and the multidimensional semiclassical tunneling method