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Volumn 303, Issue 5-6, 1999, Pages 567-575

Force-constant weighted redundant coordinates in molecular geometry optimizations

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EID: 0013689990     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(99)00247-X     Document Type: Article
Times cited : (33)

References (23)
  • 1
    • 0001005032 scopus 로고
    • Optimization of equilibrium geometries and transition structures
    • in: K.P. Lawley (Ed.), John Wiley
    • H.B. Schlegel. Optimization of equilibrium geometries and transition structures, in: K.P. Lawley (Ed.), Ab Initio Methods in Quantum Chemistry, vol. I, John Wiley, 1987, p. 249.
    • (1987) Ab Initio Methods in Quantum Chemistry , vol.1 , pp. 249
    • Schlegel, H.B.1
  • 13
    • 0347355688 scopus 로고    scopus 로고
    • Appendix is available on
    • Appendix is available on http://www.teokem.lu.se/~roland/inter.ps.
  • 15
    • 0347355686 scopus 로고    scopus 로고
    • MOLPRO is a package of ab initio programs written by with contributions from J. Almlöf, R.D. Amos, A. Berning, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, S.T. Elbert, C. Hampel, R. Lindh, A.W. Lloyd, W. Meyer, A. Nicklass, K. Peterson, R. Pitzer, M. Schütz, A.J. Stone, P.R. Taylor, M.E. Mura, P. Pulay, H. Stoll, T. Thorsteinsson.
    • MOLPRO is a package of ab initio programs written by H.-J. Werner, P.J. Knowles, with contributions from J. Almlöf, R.D. Amos, A. Berning, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, S.T. Elbert, C. Hampel, R. Lindh, A.W. Lloyd, W. Meyer, A. Nicklass, K. Peterson, R. Pitzer, M. Schütz, A.J. Stone, P.R. Taylor, M.E. Mura, P. Pulay, H. Stoll, T. Thorsteinsson.
    • Werner, H.-J.1    Knowles, P.J.2
  • 17
    • 0002146543 scopus 로고
    • Geometry optimization on potential energy surfaces
    • in: D.R. Yarkony (Ed.), World Scientific
    • H.B. Schlegel, Geometry optimization on potential energy surfaces, in: D.R. Yarkony (Ed.), Modern Electronic Structure Theory, Part I, Chap. 8, World Scientific, 1995, p. 459.
    • (1995) Modern Electronic Structure Theory, Part I, Chap. 8 , pp. 459
    • Schlegel, H.B.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.