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Volumn 106, Issue 33, 2002, Pages 8182-8188

Ab initio potential energy surface and vibrational energies of H3O+ and its isotopomers

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; INTERFACIAL ENERGY; INVERSE KINEMATICS; IONS; LEAST SQUARES APPROXIMATIONS; MOLECULAR VIBRATIONS; POTENTIAL ENERGY;

EID: 0037158925     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp020619i     Document Type: Article
Times cited : (38)

References (58)
  • 17
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    • (a) Sears, T.J.; Bunker, P.R.; Davies, P.B.; Johnson, S.A.; Spirko, V. J. Chem. Phys. 1985, 83, 2676. (b) Araki, M.; Ozeki, H.; Saito, S. J. Chem. Phys. 1998, 109, 5707.
    • (1998) J. Chem. Phys. , vol.109 , pp. 5707
    • Araki, M.1    Ozeki, H.2    Saito, S.3
  • 32
    • 0002670091 scopus 로고
    • (a) Spirko, V.; Bunker, P.R. J. Mol. Spectrosc. 1982, 95, 226. (b) Spirko, V. J. Mol. Spectrosc. 1983, 101, 30.
    • (1983) J. Mol. Spectrosc. , vol.101 , pp. 30
    • Spirko, V.1
  • 49
    • 0011784225 scopus 로고    scopus 로고
    • Online documents and a more extensive list of references can be found at http://www.emory.edu/CHEMISTRY/faculty/bowman/multimode.
  • 50
    • 0011747154 scopus 로고    scopus 로고
    • note
    • (a) MOLPRO 2000.1 is a suite 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, R. Pitzer, G. Rauhut, M. Schütz, H. Stoll, A.J. Stone, R. Tarroni, and T. Thorsteinsson.
  • 53
    • 0001260286 scopus 로고    scopus 로고
    • The program to compute the perturbative triples corrections has been developed by: M.J.O. Deegan and P.J. Knowles in 1992. (d) Hampel, C.; Werner, H.-J. J. Chem. Phys. 1996, 104, 6286.
    • (1996) J. Chem. Phys. , vol.104 , pp. 6286
    • Hampel, C.1    Werner, H.-J.2
  • 57
    • 84945599356 scopus 로고
    • (a) Watson, J.K.G. Mol. Phys. 1968, 15, 479. (b)Watson, J.K.G. Mol. Phys. 1970, 19, 465.
    • (1968) Mol. Phys. , vol.15 , pp. 479
    • Watson, J.K.G.1
  • 58
    • 0042641964 scopus 로고
    • (a) Watson, J.K.G. Mol. Phys. 1968, 15, 479. (b)Watson, J.K.G. Mol. Phys. 1970, 19, 465.
    • (1970) Mol. Phys. , vol.19 , pp. 465
    • Watson, J.K.G.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.