메뉴 건너뛰기




Volumn 104, Issue 15, 2000, Pages 3299-3307

Theoretical study of [Na(H2O)n,]- (n = 1-4) clusters: Geometries, vertical detachment energies, and IR spectra

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; COMPUTATIONAL METHODS; CORRELATION METHODS; HYDRATION; INFRARED SPECTROSCOPY; INTERFACES (MATERIALS); MOLECULAR DYNAMICS; PHOTOELECTRON SPECTROSCOPY; WATER;

EID: 0033749115     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp992525n     Document Type: Article
Times cited : (25)

References (62)
  • 14
  • 39
    • 33645924902 scopus 로고    scopus 로고
    • MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions of J. Almlof, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A. J. Stone, P. R. Taylor, R. Lindh, M. E. Mura, and T. Thorsteinsson
    • MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions of J. Almlof, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A. J. Stone, P. R. Taylor, R. Lindh, M. E. Mura, and T. Thorsteinsson.
  • 59
    • 33645953221 scopus 로고    scopus 로고
    • Field, R. W., Hirota, E., Maier, J. P., Tsuchiya, S., Eds.; Blackwell Science: Oxford, Chapter 6
    • Ebata, T. In Nonlinear Spectroscopy for Molecular Structure Determination; Field, R. W., Hirota, E., Maier, J. P., Tsuchiya, S., Eds.; Blackwell Science: Oxford, 1998; Chapter 6.
    • (1998) Nonlinear Spectroscopy for Molecular Structure Determination
    • Ebata, T.1
  • 62
    • 33645896941 scopus 로고    scopus 로고
    • OH distance of a free water monomer and bonded OH length in a water dimer are calculated to be 0.960 and 0.965 A, respectively
    • OH distance of a free water monomer and bonded OH length in a water dimer are calculated to be 0.960 and 0.965 A, respectively.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.