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Volumn 101, Issue 50, 1997, Pages 9732-9737

Bonding of atomic S to Pt(111) from ab initio explicitly correlated cluster model wave functions

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CORRELATION METHODS; FUNCTIONS; INTERFACIAL ENERGY; MATHEMATICAL MODELS; MOLECULAR VIBRATIONS; PLATINUM; SULFUR; SURFACE PHENOMENA;

EID: 0031338721     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp971874j     Document Type: Article
Times cited : (6)

References (54)
  • 27
    • 85033304839 scopus 로고    scopus 로고
    • See ref 15 and references therein
    • See ref 15 and references therein.
  • 38
    • 0009790772 scopus 로고    scopus 로고
    • QCPE, University of Indiana: Bloomington, IN. HONDO-CIPSI package written by Caballol R,; Castell, O.; Daudey, J. P.; Evangelisti, S.; Illas, F.; Malrieu, J. P.; Maynau, D.; Pelissier, M.; Rubio, J.; Spiegelmann, F.
    • Dupuis, M.; Rys, J.; King, H. F. HONDO-76, program 338; QCPE, University of Indiana: Bloomington, IN. HONDO-CIPSI package written by Caballol R,; Castell, O.; Daudey, J. P.; Evangelisti, S.; Illas, F.; Malrieu, J. P.; Maynau, D.; Pelissier, M.; Rubio, J.; Spiegelmann, F.
    • HONDO-76, Program 338
    • Dupuis, M.1    Rys, J.2    King, H.F.3
  • 45
    • 85033287579 scopus 로고    scopus 로고
    • note
    • The value reported in ref 35 as percent of contribution is actually 〈φSCF|ψMRCI) and the percent given by the square of this value.
  • 46
    • 0011433946 scopus 로고
    • Thorpe, M. F., Series Ed.; Electronic properties of Solids using Cluster Methods, Kaplan, T.. A., Ed.; Plenum Press: New York
    • Bagus, P. S.; Illas, F.; Sousa, C.; Pacchioni, G. Fundamental Material Science I; Thorpe, M. F., Series Ed.; Electronic properties of Solids using Cluster Methods, Kaplan, T.. A., Ed.; Plenum Press: New York, 1994.
    • (1994) Fundamental Material Science I
    • Bagus, P.S.1    Illas, F.2    Sousa, C.3    Pacchioni, G.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.