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Volumn 2, Issue , 2007, Pages 875-893

Quantum Mechanical Tunneling of Hydrogen Atoms in Some Simple Chemical Systems

Author keywords

Bimolecular reactions; Hydrogen transfer reactions; Quantum mechanical tunneling of hydrogen atoms; Simple chemical systems; Special features of hydrogen transfer reactions; Unimolecular reactions

Indexed keywords


EID: 79959529732     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1002/9783527611546.ch28     Document Type: Chapter
Times cited : (5)

References (36)
  • 35
    • 0030218764 scopus 로고    scopus 로고
    • Computational methods now exist that include contributions from all vibrational modes to the H/D-transfer process, thus eliminating the need to introduce any empirical parameters, e.g., variational transition state theory with semiclassical tunneling corrections and the approximate instanton method
    • Computational methods now exist that include contributions from all vibrational modes to the H/D-transfer process, thus eliminating the need to introduce any empirical parameters, e.g., variational transition state theory with semiclassical tunneling corrections (Truhlar, D. G.; Garett, B. C.; Klippenstein, S. J. J. Phys. Chem. 1996, 100, 12771) and the approximate instanton method
    • (1996) J. Phys. Chem. , vol.100 , pp. 12771
    • Truhlar, D.G.1    Garett, B.C.2    Klippenstein, S.J.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.