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Volumn 107, Issue 10, 1997, Pages 3832-3839

Harmonic and anharmonic rate constants and transmission coefficients obtained from ab initio data

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EID: 0000882574     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474742     Document Type: Article
Times cited : (45)

References (57)
  • 1
    • 33847085308 scopus 로고
    • D. G. Truhlar and B. C. Garrett, Acc. Chem. Res. 13, 440 (1980); B. C. Garrett and D. G. Truhlar, J. Chem. Phys. 70, 1593 (1979); 72, 3460 (1980); J. Phys. Chem. 83, 1079 (1979); 84, 682 (1980); 87, 4553E (1983); J. Am. Chem. Soc. 101, 5207 (1979); 102, 2559 (1980).
    • (1980) Acc. Chem. Res. , vol.13 , pp. 440
    • Truhlar, D.G.1    Garrett, B.C.2
  • 2
    • 0001674168 scopus 로고
    • D. G. Truhlar and B. C. Garrett, Acc. Chem. Res. 13, 440 (1980); B. C. Garrett and D. G. Truhlar, J. Chem. Phys. 70, 1593 (1979); 72, 3460 (1980); J. Phys. Chem. 83, 1079 (1979); 84, 682 (1980); 87, 4553E (1983); J. Am. Chem. Soc. 101, 5207 (1979); 102, 2559 (1980).
    • (1979) J. Chem. Phys. , vol.70 , pp. 1593
    • Garrett, B.C.1    Truhlar, D.G.2
  • 3
    • 36749108015 scopus 로고
    • D. G. Truhlar and B. C. Garrett, Acc. Chem. Res. 13, 440 (1980); B. C. Garrett and D. G. Truhlar, J. Chem. Phys. 70, 1593 (1979); 72, 3460 (1980); J. Phys. Chem. 83, 1079 (1979); 84, 682 (1980); 87, 4553E (1983); J. Am. Chem. Soc. 101, 5207 (1979); 102, 2559 (1980).
    • (1980) J. Chem. Phys. , vol.72 , pp. 3460
  • 4
    • 0642288734 scopus 로고
    • D. G. Truhlar and B. C. Garrett, Acc. Chem. Res. 13, 440 (1980); B. C. Garrett and D. G. Truhlar, J. Chem. Phys. 70, 1593 (1979); 72, 3460 (1980); J. Phys. Chem. 83, 1079 (1979); 84, 682 (1980); 87, 4553E (1983); J. Am. Chem. Soc. 101, 5207 (1979); 102, 2559 (1980).
    • (1979) J. Phys. Chem. , vol.83 , pp. 1079
  • 5
    • 33847085308 scopus 로고
    • D. G. Truhlar and B. C. Garrett, Acc. Chem. Res. 13, 440 (1980); B. C. Garrett and D. G. Truhlar, J. Chem. Phys. 70, 1593 (1979); 72, 3460 (1980); J. Phys. Chem. 83, 1079 (1979); 84, 682 (1980); 87, 4553E (1983); J. Am. Chem. Soc. 101, 5207 (1979); 102, 2559 (1980).
    • (1980) J. Phys. Chem. , vol.84 , pp. 682
  • 6
    • 33847085308 scopus 로고
    • D. G. Truhlar and B. C. Garrett, Acc. Chem. Res. 13, 440 (1980); B. C. Garrett and D. G. Truhlar, J. Chem. Phys. 70, 1593 (1979); 72, 3460 (1980); J. Phys. Chem. 83, 1079 (1979); 84, 682 (1980); 87, 4553E (1983); J. Am. Chem. Soc. 101, 5207 (1979); 102, 2559 (1980).
    • (1983) J. Phys. Chem. , vol.87
  • 7
    • 33845560998 scopus 로고
    • D. G. Truhlar and B. C. Garrett, Acc. Chem. Res. 13, 440 (1980); B. C. Garrett and D. G. Truhlar, J. Chem. Phys. 70, 1593 (1979); 72, 3460 (1980); J. Phys. Chem. 83, 1079 (1979); 84, 682 (1980); 87, 4553E (1983); J. Am. Chem. Soc. 101, 5207 (1979); 102, 2559 (1980).
    • (1979) J. Am. Chem. Soc. , vol.101 , pp. 5207
  • 8
    • 33847086903 scopus 로고
    • D. G. Truhlar and B. C. Garrett, Acc. Chem. Res. 13, 440 (1980); B. C. Garrett and D. G. Truhlar, J. Chem. Phys. 70, 1593 (1979); 72, 3460 (1980); J. Phys. Chem. 83, 1079 (1979); 84, 682 (1980); 87, 4553E (1983); J. Am. Chem. Soc. 101, 5207 (1979); 102, 2559 (1980).
    • (1980) J. Am. Chem. Soc. , vol.102 , pp. 2559
  • 13
    • 58149325341 scopus 로고
    • D.-h. Lu, T. N. Truong, V. S. Melissas, G. C. Lynch, Y.-P. Liu, B. C. Garrett, R. Steckler, A. D. Isaacson, S. N. Rai, G. C. Hancock, J. G. Lauderdale, T. Joseph, and D. G. Truhlar, Comput. Phys. Commun. 71, 235 (1992); R. Steckler et al., ibid. 88, 341 (1995).
    • (1995) Comput. Phys. Commun. , vol.88 , pp. 341
    • Steckler, R.1
  • 20
    • 37949018254 scopus 로고
    • N. C. Blais and D. G. Truhlar, J. Chem. Phys. 61, 4186 (1974); 65, 3803(E) (1976).
    • (1976) J. Chem. Phys. , vol.65
  • 29
    • 0041840671 scopus 로고
    • B. C. Garrett and D. G. Truhlar, J. Am. Chem. Soc. 101, 4534 (1979); J. Phys. Chem. 83, 1915 (1979).
    • (1979) J. Phys. Chem. , vol.83 , pp. 1915
  • 32
    • 33845518944 scopus 로고
    • A. D. Isaacson and D. G. Truhlar, J. Chem. Phys. 75, 4090 (1981); 80, 2888 (1984).
    • (1984) J. Chem. Phys. , vol.80 , pp. 2888
  • 37
    • 0004157278 scopus 로고
    • Natl. Stand. Ref. Data Ser., Natl. Bur. Stand.
    • JANAF Thermochemical Tables, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 37, (1970). (Harmonic zero-point energy contributions have been removed.)
    • (1970) JANAF Thermochemical Tables , vol.37
  • 44
    • 0000674373 scopus 로고
    • B. C. Garrett, D. G. Truhlar, R. S. Grev, and A. W. Magnuson, J. Phys. Chem. 84, 1730 (1980); 87, 4554E (1983).
    • (1983) J. Phys. Chem. , vol.87
  • 51
    • 36849098681 scopus 로고
    • R. A. Marcus, J. Chem. Phys. 45, 4493 (1966); 49, 2617 (1969).
    • (1969) J. Chem. Phys. , vol.49 , pp. 2617


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