메뉴 건너뛰기




Volumn 939, Issue 1-3, 2010, Pages 14-21

Structure and conformational dynamics of the dicyclopropyl ketone in the ground electronic state

Author keywords

Conformational dynamics; Coupling of torsion motions; Dicyclopropyl ketone; Nonrigid molecule; Torsion transition energies; Valence focal point analysis

Indexed keywords


EID: 72049118440     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.09.033     Document Type: Article
Times cited : (2)

References (33)
  • 19
    • 72049112869 scopus 로고    scopus 로고
    • H.-J. Werner, P.J. Knowles, R. Lindh, F.R. Manby, M. Schütz, P. Celani, T. Korona, A. Mitrushenkov, G. Rauhut, T.B. Adler, R.D. Amos, A. Bernhardsson, A. Berning, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, E. Goll, C. Hampel, G. Hetzer, T. Hrenar, G. Knizia, C. Köppl, Y. Liu, A.W. Lloyd, R.A. Mata, A.J. May, S.J. McNicholas, W. Meyer, M.E. Mura, A. Nicklass, P. Palmieri, K. Pflüger, R. Pitzer, M. Reiher, U. Schumann, H. Stoll, A.J. Stone, R. Tarroni, T. Thorsteinsson, M. Wang, A. Wolf, MOLPRO, version 2008.1, a package of ab initio programs. Available from
    • H.-J. Werner, P.J. Knowles, R. Lindh, F.R. Manby, M. Schütz, P. Celani, T. Korona, A. Mitrushenkov, G. Rauhut, T.B. Adler, R.D. Amos, A. Bernhardsson, A. Berning, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, E. Goll, C. Hampel, G. Hetzer, T. Hrenar, G. Knizia, C. Köppl, Y. Liu, A.W. Lloyd, R.A. Mata, A.J. May, S.J. McNicholas, W. Meyer, M.E. Mura, A. Nicklass, P. Palmieri, K. Pflüger, R. Pitzer, M. Reiher, U. Schumann, H. Stoll, A.J. Stone, R. Tarroni, T. Thorsteinsson, M. Wang, A. Wolf, MOLPRO, version 2008.1, a package of ab initio programs. Available from: .
  • 20
    • 72049111048 scopus 로고    scopus 로고
    • J.F. Stanton, J. Gauss, J.D. Watts, P.G. Szalay, R.J. Bartlett with contributions from A.A. Auer, D.B. Bernholdt, O. Christiansen, M.E. Harding, M. Heckert, O. Heun, C. Huber, D. Jonsson, J. Jusélius, W.J. Lauderdale, T. Metzroth, C. Michauk, D.P. O'Neill, D.R. Price, K. Ruud, F. Schiffmann, A. Tajti, M.E. Varner, J. Vázquez and the integral packages MOLECULE (J. Almlöf and P.R. Taylor), PROPS (P.R. Taylor), and ABACUS (T. Helgaker, H.J.Aa. Jensen, P. Jørgensen, J. Olsen). For the current version, see .
    • J.F. Stanton, J. Gauss, J.D. Watts, P.G. Szalay, R.J. Bartlett with contributions from A.A. Auer, D.B. Bernholdt, O. Christiansen, M.E. Harding, M. Heckert, O. Heun, C. Huber, D. Jonsson, J. Jusélius, W.J. Lauderdale, T. Metzroth, C. Michauk, D.P. O'Neill, D.R. Price, K. Ruud, F. Schiffmann, A. Tajti, M.E. Varner, J. Vázquez and the integral packages MOLECULE (J. Almlöf and P.R. Taylor), PROPS (P.R. Taylor), and ABACUS (T. Helgaker, H.J.Aa. Jensen, P. Jørgensen, J. Olsen). For the current version, see .


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.