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Volumn 118, Issue 39, 1996, Pages 9368-9376

Methane elimination from ionized propane through an ion-neutral complex: An ab initio study

Author keywords

[No Author keywords available]

Indexed keywords

METHANE; PROPANE;

EID: 0029905599     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9606283     Document Type: Article
Times cited : (20)

References (69)
  • 10
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    • Jennings, K. R., Ed.; Kluwer Academic Publishers: Dordrecht, The Netherlands
    • (d) Hammerum, S. In Fundamentals of Gas Phase Ion Chemistry; Jennings, K. R., Ed.; Kluwer Academic Publishers: Dordrecht, The Netherlands, 1990; pp 379-390. Bowen, R. D. Acc. Chem. Res. 1991, 24, 364.
    • (1990) Fundamentals of Gas Phase Ion Chemistry , pp. 379-390
    • Hammerum, S.1
  • 11
    • 0003182255 scopus 로고
    • (d) Hammerum, S. In Fundamentals of Gas Phase Ion Chemistry; Jennings, K. R., Ed.; Kluwer Academic Publishers: Dordrecht, The Netherlands, 1990; pp 379-390. Bowen, R. D. Acc. Chem. Res. 1991, 24, 364.
    • (1991) Acc. Chem. Res. , vol.24 , pp. 364
    • Bowen, R.D.1
  • 38
    • 10244234353 scopus 로고    scopus 로고
    • Universitat de Barcelona, unpublished work
    • Mota, F., Universitat de Barcelona, unpublished work.
    • Mota, F.1
  • 46
    • 10244260686 scopus 로고    scopus 로고
    • QCISD/6-31G(d) energies in hartrees: -118.31323 (II) and -118.31627 (III)
    • QCISD/6-31G(d) energies in hartrees: -118.31323 (II) and -118.31627 (III).
  • 47
    • 10244246873 scopus 로고    scopus 로고
    • QCISD(T)/6-311+G(2d,2p)//QCISD/6-31G(d) energies in hartrees: -118.46038 (II) and -118.46177 (III)
    • QCISD(T)/6-311+G(2d,2p)//QCISD/6-31G(d) energies in hartrees: -118.46038 (II) and -118.46177 (III).
  • 52
    • 4043083704 scopus 로고
    • Perdew, J. P. Phys. Rev. B 1986, 33, 8822; 1986, 34, 7406.
    • (1986) Phys. Rev. B , vol.34 , pp. 7406
  • 55
    • 10244278277 scopus 로고    scopus 로고
    • B3-LYP/6-311G(d,p) energies in hartrees: -118.78448 (II) and -118.78598 (III)
    • B3-LYP/6-311G(d,p) energies in hartrees: -118.78448 (II) and -118.78598 (III).
  • 58
    • 10244233165 scopus 로고    scopus 로고
    • QCISD(T)/6-311+G(2d,2p)//QCISD/6-31G(d) energy in hartrees: -118.41842
    • QCISD(T)/6-311+G(2d,2p)//QCISD/6-31G(d) energy in hartrees: -118.41842.
  • 63
    • 0000538368 scopus 로고
    • 3) = -90 kJ/mol at 0 K (Traeger, J. C.; Hudson, C. E.; McAdoo, D. J. J. Phys. Chem. 1988, 92, 1519) and the propane adiabatic ionization potential of 10.95 ± 0.05 eV (ref 43).
    • (1988) J. Phys. Chem. , vol.92 , pp. 1519
    • Traeger, J.C.1    Hudson, C.E.2    McAdoo, D.J.3
  • 66
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    • ·+) = 966 kJ/mol at 0 K. For the latter value see ref 42
    • ·+) = 966 kJ/mol at 0 K. For the latter value see ref 42.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.