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Volumn 102, Issue 23-24, 2004, Pages 2411-2423

Variational vibrational calculations using high-order anharmonic force fields

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; ELECTRONIC STRUCTURE; FORCE MEASUREMENT; HAMILTONIANS; MOLECULAR VIBRATIONS; POTENTIAL ENERGY; PROBLEM SOLVING;

EID: 10944270135     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/0026897042000274991     Document Type: Article
Times cited : (65)

References (95)
  • 6
    • 10944222765 scopus 로고    scopus 로고
    • Special issue 'first-principles rovibrational spectroscopy'
    • See most of the articles in the Special Issue 'First-Principles Rovibrational Spectroscopy' of Spectrochimica Acta Part A, 2002, 58(4).
    • (2002) Spectrochimica Acta Part A , vol.58 , Issue.4
  • 31
    • 0003024761 scopus 로고    scopus 로고
    • Anharmonic molecular force fields
    • edited by P.v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner (Chichester: Wiley)
    • CSÁSZÁR, A. G., 1998, Anharmonic Molecular Force Fields, in The Encyclopedia of Computational Chemistry, Vol. 1, edited by P.v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner (Chichester: Wiley), pp. 13-30.
    • (1998) The Encyclopedia of Computational Chemistry , vol.1 , pp. 13-30
    • Császár, A.G.1
  • 32
    • 0346698439 scopus 로고    scopus 로고
    • edited by P. Jensen and P. R. Bunker (Chichester: Wiley)
    • SARKA, K. and DEMAISON, J., 2000, in Computational Molecular Spectroscopy, edited by P. Jensen and P. R. Bunker (Chichester: Wiley), pp. 255-303.
    • (2000) Computational Molecular Spectroscopy , pp. 255-303
    • Sarka, K.1    Demaison, J.2
  • 44
    • 0003524524 scopus 로고
    • edited by K. N. Rao and C. W. Mathews (New York: Academic Press)
    • MILLS, I. M., 1972, Molecular Spectroscopy: Modern Research, edited by K. N. Rao and C. W. Mathews (New York: Academic Press).
    • (1972) Molecular Spectroscopy: Modern Research
    • Mills, I.M.1
  • 48
  • 62
    • 0003396304 scopus 로고    scopus 로고
    • edited by P.v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner (Chichester: Wiley)
    • (a) CARRINGTON JR, T., 1998, in The Encyclopedia of Computational Chemistry, edited by P.v. R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, and P. R. Schreiner (Chichester: Wiley);
    • (1998) The Encyclopedia of Computational Chemistry
    • Carrington Jr., T.1
  • 79
    • 10944269125 scopus 로고    scopus 로고
    • http://theop11.chem.elte.hu.
  • 81
    • 10944271778 scopus 로고    scopus 로고
    • note
    • INTDER2000 is a connected set of FORTRAN programs developed by Allen, W. D. and co-workers for performing general curvilinear transformations and associated tasks often encountered in the calculation of anharmonic molecular force fields.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.