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Volumn 108, Issue 24, 1998, Pages 9978-9986

Removing resonance effects from quantum mechanical vibrational partition functions obtained from perturbation theory

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EID: 0012045490     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476496     Document Type: Article
Times cited : (29)

References (28)
  • 3
    • 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(E) (1980); 87, 4553(E) (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
  • 4
    • 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(E) (1980); 87, 4553(E) (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
  • 5
    • 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(E) (1980); 87, 4553(E) (1983); J. Am. Chem. Soc. 101, 5207 (1979); 102, 2559 (1980).
    • (1980) J. Chem. Phys. , vol.72 , pp. 3460
  • 6
    • 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(E) (1980); 87, 4553(E) (1983); J. Am. Chem. Soc. 101, 5207 (1979); 102, 2559 (1980).
    • (1979) J. Phys. Chem. , vol.83 , pp. 1079
  • 7
    • 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(E) (1980); 87, 4553(E) (1983); J. Am. Chem. Soc. 101, 5207 (1979); 102, 2559 (1980).
    • (1980) J. Phys. Chem. , vol.84
  • 8
    • 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(E) (1980); 87, 4553(E) (1983); J. Am. Chem. Soc. 101, 5207 (1979); 102, 2559 (1980).
    • (1983) J. Phys. Chem. , vol.87
  • 9
    • 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(E) (1980); 87, 4553(E) (1983); J. Am. Chem. Soc. 101, 5207 (1979); 102, 2559 (1980).
    • (1979) J. Am. Chem. Soc. , vol.101 , pp. 5207
  • 10
    • 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(E) (1980); 87, 4553(E) (1983); J. Am. Chem. Soc. 101, 5207 (1979); 102, 2559 (1980).
    • (1980) J. Am. Chem. Soc. , vol.102 , pp. 2559
  • 17
    • 84988058326 scopus 로고
    • L. B. Harding and W. C. Ermler, J. Comput. Chem. 6, 13 (1985); W. C. Ermler, H. C. Hsieh, and L. B. Harding, Comput. Phys. Commun. 51, 257 (1988).
    • (1985) J. Comput. Chem. , vol.6 , pp. 13
    • Harding, L.B.1    Ermler, W.C.2
  • 22
    • 0012079219 scopus 로고
    • POLYMODE, Quantum Chemistry Program Exchange program 496
    • H. Romanowski and J. M. Bowman, POLYMODE, Quantum Chemistry Program Exchange program 496, QCPE Bull. 5, 64 (1985).
    • (1985) QCPE Bull. , vol.5 , pp. 64
    • Romanowski, H.1    Bowman, J.M.2
  • 27
    • 85034299563 scopus 로고    scopus 로고
    • note
    • 1 = 0.4998 case, the accurate energies of the |10〉 and |02〉 levels given in Ref. 12 have been interchanged here, so as to correspond to a quantum number assignment consistently based on eigenvector components.


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