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Volumn 107, Issue 26, 2003, Pages 5233-5240

Theoretical study of RbOH, CsOH, FrOH, and their cations: Geometrics, vibrational frequencies, and the ionization energies

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CESIUM COMPOUNDS; CHEMICAL BONDS; DISSOCIATION; FRANCIUM; GROUND STATE; INFRARED SPECTROSCOPY; IONIZATION; MOLECULAR VIBRATIONS; POSITIVE IONS; POTENTIAL ENERGY; RUBIDIUM COMPOUNDS;

EID: 0038824891     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp034747y     Document Type: Article
Times cited : (15)

References (45)
  • 15
    • 0037972302 scopus 로고
    • Original: Girichev, G. V.; Lapshina, S. B.; Tumanova, I. V. Zh. Strukt. Khim. 1990, 31, 132
    • Girichev, G. V.; Lapshina, S. B.; Tumanova, I. V. J. Struct. Chem. 1991, 31, 966. Original: Girichev, G. V.; Lapshina, S. B.; Tumanova, I. V. Zh. Strukt. Khim. 1990, 31, 132.
    • (1991) J. Struct. Chem. , vol.31 , pp. 966
    • Girichev, G.V.1    Lapshina, S.B.2    Tumanova, I.V.3
  • 17
    • 0038648586 scopus 로고
    • Original version: Belyaeva, A. A. Opt. Spektrosk. 1991, 71, 303
    • Belyaeva, A. A. Opt. Spectrosc. 1991, 71, 177. Original version: Belyaeva, A. A. Opt. Spektrosk. 1991, 71, 303.
    • (1991) Opt. Spectrosc. , vol.71 , pp. 177
    • Belyaeva, A.A.1
  • 31
    • 0038251191 scopus 로고    scopus 로고
    • note
    • MOLPRO is a a package of ab initio programs written by Werner, H.-J.; Knowles, P. J. with contributions from Almlöf, J.; Amos, R. D.; Berning, A. Deegan, M. J. O.; Eckert, F.; Elbert, S. T.; Hampel C.; Lindh, R.; Meyer, W.; Nicklass, A.; Peterson, K.; Pitzer, R.; Stone, A. J.; Taylor, P. R.; Mura, M. E.; Pulay, P., Schuetz, M.; Stoll, H.; Thorsteiensson, T.; Cooper, D. L.
  • 32
    • 0002461870 scopus 로고
    • Bergner, A. Arbeitsbericht 1990 (see http://www.theochem.unistuttgart.de/pseudopotential/clickspse.html).
    • (1990) Arbeitsbericht
    • Bergner, A.1
  • 33
    • 0038251192 scopus 로고    scopus 로고
    • note
    • The CRENBL (Fr), ECP28MWB (Rb), and ECP46MWB (Cs) ECPS were obtained from the EMSL Basis Set Library. Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, version 1/29/01, as developed and distributed by the Molecular Science Computing Facility. Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under Contract DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information.
  • 39
    • 0038251187 scopus 로고
    • Original: Emel'yanov, A. M.: Gusarov, A. V.; Gorokhov, L. N.; Sadovnikova, N. A. Teor. Eksp. Khim. 1967, 3, 126
    • Emel'yanov, A. M.; Gusarov, A. V.; Gorokhov, L. N.; Sadovnikova, N. A. Theor. Exp. Chem. 1967 3, 226 Original: Emel'yanov, A. M.: Gusarov, A. V.; Gorokhov, L. N.; Sadovnikova, N. A. Teor. Eksp. Khim. 1967, 3, 126.
    • (1967) Theor. Exp. Chem. , vol.3 , pp. 226
    • Emel'yanov, A.M.1    Gusarov, A.V.2    Gorokhov, L.N.3    Sadovnikova, N.A.4
  • 40
    • 0037913673 scopus 로고
    • Original: Gorokhov, L. N.; Gusarov, A. V.; Panchenkov, I. G. Zh. Fiz. Khim. 1970, 44, 150
    • Gorokhov, L. N.; Gusarov, A. V.; Panchenkov, I. G. Russ. J. Phys. Chem. 1970, 44, 269. Original: Gorokhov, L. N.; Gusarov, A. V.; Panchenkvo, I. G. Zh. Fiz. Khim. 1970, 44, 150.
    • (1970) Russ. J. Phys. Chem. , vol.44 , pp. 269
    • Gorokhov, L.N.1    Gusarov, A.V.2    Panchenkov, I.G.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.