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Volumn 242, Issue 1, 2007, Pages 70-75

Ab initio anharmonic force field and equilibrium structure of the sulfonium ion

Author keywords

Ab initio; Anharmonic force field; Dipole moment; Equilibrium structure; Spectroscopic parameters; Sulfonium ion

Indexed keywords

COMPUTATION THEORY; DIPOLE MOMENT; GROUND STATE; ISOTOPES; MOLECULAR VIBRATIONS; SPECTROSCOPIC ANALYSIS;

EID: 33947578722     PISSN: 00222852     EISSN: 1096083X     Source Type: Journal    
DOI: 10.1016/j.jms.2007.02.011     Document Type: Article
Times cited : (8)

References (30)
  • 3
    • 33947578622 scopus 로고    scopus 로고
    • MOLPRO is a package of ab initio programs written by H.-J. Werner and P.J. Knowles, with contributions of R.D. Amos, A. Bernhardsson, 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, R. Pitzer, G. Rauhut, M. Schütz, H. Stoll, A.J. Stone, R. Tarroni and T. Thorsteinsson.
  • 16
    • 33947580985 scopus 로고    scopus 로고
    • aces2 (Mainz-Austin-Budapest version), a quantum-chemical program package for high-level calculations of energies and properties by J.F. Stanton et al., see http://www.aces2.de.
  • 22
    • 33947590447 scopus 로고    scopus 로고
    • K. Ruud, J. Gauss, Implementation and test calculations on magnetizability and rotational g-tensor, in preparation.
  • 23
    • 33947573264 scopus 로고    scopus 로고
    • J. Gauss et al, Test computations on effects of electronic corrections on equilibrium structure, in preparation.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.