메뉴 건너뛰기




Volumn 123, Issue 10, 2005, Pages

A new ab initio interaction energy surface and high-resolution spectra of the H 2 -CO van der Waals complex

Author keywords

[No Author keywords available]

Indexed keywords

AB INITION INTERACTION; ENERGY SURFACE; FIVE-DIMENSIONAL GRID; POTENTIAL ENERGY SURFACES;

EID: 25144489090     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2008216     Document Type: Article
Times cited : (117)

References (66)
  • 21
    • 0001660805 scopus 로고    scopus 로고
    • edited by P.von Ragú Schleyer, N. L.Allinger, T.Clark, J.Gasteiger, P. A.Kollman, H. F.Schaefer III, and P. R.Schreiner (Wiley, Chichester, UK
    • B. Jeziorski and K. Szalewicz, in Encyclopedia of Computational Chemistry, edited by, P. von Ragú Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and, P. R. Schreiner, (Wiley, Chichester, UK, 1998), Vol. 2, pp. 1376-1398.
    • (1998) Encyclopedia of Computational Chemistry , vol.2 , pp. 1376-1398
    • Jeziorski, B.1    Szalewicz, K.2
  • 40
    • 25144516289 scopus 로고    scopus 로고
    • H.-J. Werner, P. J. Knowles, R. Lindh, MOLPRO, version 2002.6, a package of ab initio programs, 2003; see http://www.molpro.net
    • (2003)
    • Werner, H.-J.1    Knowles, P.J.2    Lindh, R.3
  • 41
    • 84861242474 scopus 로고    scopus 로고
    • H.-J. Werner, P. J. Knowles, R. Lindh, MOLPRO, version 2002.6, a package of ab initio programs, 2003; see http://www.molpro.net
  • 54
    • 25144501910 scopus 로고    scopus 로고
    • A FORTRAN routine computing the values of the V04 potential is available from the authors at the electronic mail address teojan@chem.uni.torun.pl
    • A FORTRAN routine computing the values of the V04 potential is available from the authors at the electronic mail address teojan@chem.uni.torun.pl
  • 57
    • 25144480281 scopus 로고    scopus 로고
    • J. M. Hutson, BOUND Computer Code, Version 5 (1993), distributed by Collaborative Computational Project No. 6 of the Science and Engineering Research Council, UK.
    • Hutson, J.M.1
  • 63
    • 25144486559 scopus 로고    scopus 로고
    • J. Gottfried and G. C. McBane, VIRIAL6 (2000), a program to evaluate interaction second virial coefficient for H2 -CO rotor interaction.
    • (2000)
    • Gottfried, J.1    McBane, G.C.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.