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Volumn 105, Issue 22, 1996, Pages 9921-9926

An ab initia benchmark study of the H+CO→HCO reaction

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE; FREE RADICAL; HYDROCARBON; HYDROGEN;

EID: 0030575955     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472857     Document Type: Article
Times cited : (37)

References (34)
  • 1
    • 0040351366 scopus 로고
    • edited by D. K. Bohme, E. Herbst, N. Kaifu, and S. Saito University of Tokyo, Tokyo
    • (a) A. G. G. M. Tielens, in Chemistry and Spectroscopy of Interstellar Molecules, edited by D. K. Bohme, E. Herbst, N. Kaifu, and S. Saito (University of Tokyo, Tokyo, 1992), p. 237
    • (1992) Chemistry and Spectroscopy of Interstellar Molecules , pp. 237
    • Tielens, A.G.G.M.1
  • 2
    • 0141812393 scopus 로고
    • edited by T. J. Millar and D. A. Williams Institute of Physics, Bristol
    • (b) E. Herbst, in Dust and Chemistry in Astronomy, edited by T. J. Millar and D. A. Williams (Institute of Physics, Bristol, 1993), p. 183.
    • (1993) Dust and Chemistry in Astronomy , pp. 183
    • Herbst, E.1
  • 4
    • 0040357481 scopus 로고
    • edited by T. W. Hartquist Cambridge University Press, Cambridge
    • V. Buch, in Molecular Astrophysics, edited by T. W. Hartquist (Cambridge University Press, Cambridge, 1990), p. 132.
    • (1990) Molecular Astrophysics , pp. 132
    • Buch, V.1
  • 13
    • 33645818581 scopus 로고
    • 100, 2975 (1994)
    • (1994) , vol.100 , pp. 2975
  • 14
    • 33645834136 scopus 로고
    • (e) 103, 4572 (1995)
    • (1995) , vol.103 , pp. 4572
  • 18
    • 33645828027 scopus 로고
    • 99, 9790 (1993)
    • (1993) , vol.99 , pp. 9790
  • 20
    • 36449001659 scopus 로고
    • (e) D. E. Woon, ibid. 100, 2838 (1994)
    • (1994) Ibid. , vol.100 , pp. 2838
    • Woon, D.E.1
  • 23
    • 33645805910 scopus 로고    scopus 로고
    • MOLPRO is a package of ab initio programs written by H.-J. Wemer and P. J. Knowles with contributions by J. Almlof, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. A. Peterson, R. M. Pitzer, A. J. Stone, and P. R. Taylor.
    • MOLPRO is a package of ab initio programs written by H.-J. Wemer and P. J. Knowles with contributions by J. Almlof, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. A. Peterson, R. M. Pitzer, A. J. Stone, and P. R. Taylor.
  • 34
    • 33645811110 scopus 로고    scopus 로고
    • note
    • All RCCSD(T) results for augmented or truncated sets are based on single-point calculations at the cc-pVXZ geometries with their ZPE corrections. This introduces approximately 0.02 kcal/mol error to relative energies.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.