Theoretical study of kinetic isotope effects on hydrogen abstraction reactions

Nukleonika

Volumn 47, Issue SUPPL.1, 2002, Pages

  Kurosaki, Yuzuru ^a  

^a JAPAN ATOMIC ENERGY AGENCY   (Japan)

Author keywords

ab initio molecular orbital method; Hyrogen abstraction reaction; Potential energy surface; Secondary isotope effect; Transition state theory; Tunneling

Indexed keywords

EID: 33645975131     PISSN: 00295922     EISSN: 15085791     Source Type: Journal    
DOI: None     Document Type: Conference Paper

References (3)

1. 3H + H reactions using variational transition state theory and the multidimentional semiclassical tunneling method. J Chem Phys 110:10830-10842
2. 2 + H reaction and its isotopic variants. J Chem Phys 113:4060-4072
3. 3H + H at 5 K. J Chem Phys 108:7334-7338