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Volumn 225, Issue 2, 2004, Pages 145-151

Millimeter-wave spectroscopy of rare isotopomers of HC5N and DC5N: Determination of a mixed experimental-theoretical equilibrium structure for cyanobutadiyne

Author keywords

CCSD(T) calculations; Equilibrium structure; HC5N; Isotopomers; Pyrolysis; Rotational spectroscopy

Indexed keywords

CARBON; INFRARED SPECTROSCOPY; ISOTOPES; MOLECULAR SPECTROSCOPY; MOLECULAR STRUCTURE; NITROGEN; PYROLYSIS; SPECTROSCOPIC ANALYSIS;

EID: 2642565163     PISSN: 00222852     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jms.2004.02.019     Document Type: Article
Times cited : (47)

References (26)
  • 21
    • 85030881980 scopus 로고    scopus 로고
    • note
    • MOLPRO2000 is a package of ab initio programs written by H.-J. Werner and P.J. Knowles, with contributions from R.D. Amos, A. Bernhardsson, A. Berning, P. Celani, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, T. Korona, R. Lindh, A.W. Lloyd, S.J. McNicholas, F.R. Manby, W. Meyer, M.E. Mura, A. Nicklass, P. Palmieri, P. Pulay, R. Pitzer, G. Rauhut, M. Schütz, H. Stoll, A.J. Stone, R. Tarroni, and T. Thorsteinsson.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.