메뉴 건너뛰기




Volumn 257, Issue 1, 2009, Pages 57-65

An ab initio calculation of the vibrational energies and transition moments of HSOH

Author keywords

ab initio; Dipole moment surface; HSOH; Oxadisulfane; Potential energy surface; TROVE; Vibrational energies; Vibrational transition moments

Indexed keywords

AB INITIO; DIPOLE MOMENT SURFACE; HSOH; OXADISULFANE; TROVE; VIBRATIONAL ENERGIES; VIBRATIONAL TRANSITION MOMENTS;

EID: 68549136482     PISSN: 00222852     EISSN: 1096083X     Source Type: Journal    
DOI: 10.1016/j.jms.2009.06.010     Document Type: Article
Times cited : (39)

References (31)
  • 10
    • 68549123532 scopus 로고    scopus 로고
    • Ph.D. dissertation, University of Cologne
    • O. Baum, Ph.D. dissertation, University of Cologne, 2008.
    • (2008)
    • Baum, O.1
  • 17
    • 68549085389 scopus 로고    scopus 로고
    • MOLPRO, version 2002.3 and 2002.6, a package of ab initio programs written by H.-J. Werner, P.J. Knowles, with contributions from R.D. Amos, A. Bernhardsson, A. Berning et al.
    • MOLPRO, version 2002.3 and 2002.6, a package of ab initio programs written by H.-J. Werner, P.J. Knowles, with contributions from R.D. Amos, A. Bernhardsson, A. Berning et al.
  • 18
    • 0002745201 scopus 로고    scopus 로고
    • C. Hampel, K. Peterson and H.-J. Werner, Chem. Phys. Lett. 190 (1992) 1-12 and references therein. The program to compute the perturbative triples corrections has been developed by M.J.O. Deegan and P.J. Knowles, ibid 227 (1994) 321-326.
    • C. Hampel, K. Peterson and H.-J. Werner, Chem. Phys. Lett. 190 (1992) 1-12 and references therein. The program to compute the perturbative triples corrections has been developed by M.J.O. Deegan and P.J. Knowles, ibid 227 (1994) 321-326.
  • 27
  • 31
    • 68549090909 scopus 로고    scopus 로고
    • private communication
    • H. Willner, private communication.
    • Willner, H.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.