메뉴 건너뛰기




Volumn 197, Issue 1-2, 1996, Pages 219-235

Geometry of acetylene and ethylene adsorbed on Cu(111): Theoretical cluster studies

Author keywords

Adsorption; Chemical bonding; Clusters; Quantum mechanics

Indexed keywords

ACETYLENE; ADSORPTION; CALCULATIONS; CHEMICAL BONDS; LIGHTING; ORGANOMETALLICS; QUANTUM CHEMISTRY; QUANTUM THEORY;

EID: 4344654298     PISSN: 09429352     EISSN: None     Source Type: Journal    
DOI: 10.1524/zpch.1996.197.part_1_2.219     Document Type: Article
Times cited : (14)

References (40)
  • 25
    • 0003442182 scopus 로고
    • Springer-Verlag, New York
    • see Density Functional Methods in Chemistry, J. K. Labanowski and J. W. Anzelm (eds.), Springer-Verlag, New York 1991. For the present calculations the DeMon program system was used. DeMon was developed by A. St-Amant and D. Salahub (University of Montreal) and is available from these authors.
    • (1991) Density Functional Methods in Chemistry
    • Labanowski, J.K.1    Anzelm, J.W.2
  • 28
    • 20444405526 scopus 로고    scopus 로고
    • note
    • For the present calculations the HONDO program system (version 8.3) was used to obtain Hartree-Fock wave functions. HONDO is a set of general purpose quantum chemical programs developed by M. Dupuis, A. Marquez, and E. Hollauer (IBM Corporation, Kingston) and available from these authors.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.