메뉴 건너뛰기




Volumn 94, Issue 5, 1996, Pages 297-310

DFT and MO calculations of atomic and molecular chemisorption energies on surface cluster models

Author keywords

Chemisorption; Core valence correlation; DFT; Metal cluster

Indexed keywords


EID: 0001050891     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/bf00213714     Document Type: Article
Times cited : (19)

References (72)
  • 23
    • 0003224569 scopus 로고
    • Andersson JR/Boudart M (eds) Springer, Berlin
    • Sinfelt JH (1981) In: Andersson JR/Boudart M (eds) Catalysis: science and technology, Vol. 1, Springer, Berlin, p 257
    • (1981) Catalysis: Science and Technology , vol.1 , pp. 257
    • Sinfelt, J.H.1
  • 24
    • 7744230906 scopus 로고
    • Andersson JR, Boudart M (eds) Springer, Berlin
    • Rylander PN (1981) In: Andersson JR, Boudart M (eds) Catalysis: science and technology, Vol. 4, Springer, Berlin, p 1
    • (1981) Catalysis: Science and Technology , vol.4 , pp. 1
    • Rylander, P.N.1
  • 38
    • 7744234164 scopus 로고
    • PhD thesis, Université de Montréal, The present version of the program has been substantially modified by L.G.M. Pettersson
    • Salahub DR, Fourier R, Mlynarski P, Papai I, St-Amant A, Ushio J (1991) In: Labanowski J, Andzelm J (eds) Density functional methods in chemistry. Springer, New York, p. 77; St-Amant A, PhD thesis, Université de Montréal, 1992. The present version of the program has been substantially modified by L.G.M. Pettersson
    • (1992)
    • St-Amant, A.1
  • 44
    • 4243553426 scopus 로고
    • Becke AD (1988) Phys Rev A38:3098; Becke AD (1993) J Chem Phys 98:1372; Becke AD (1993) J Chem Phys 98:5648
    • (1988) Phys Rev , vol.A38 , pp. 3098
    • Becke, A.D.1
  • 45
    • 34250817103 scopus 로고
    • Becke AD (1988) Phys Rev A38:3098; Becke AD (1993) J Chem Phys 98:1372; Becke AD (1993) J Chem Phys 98:5648
    • (1993) J Chem Phys , vol.98 , pp. 1372
    • Becke, A.D.1
  • 46
    • 0000189651 scopus 로고
    • Becke AD (1988) Phys Rev A38:3098; Becke AD (1993) J Chem Phys 98:1372; Becke AD (1993) J Chem Phys 98:5648
    • (1993) J Chem Phys , vol.98 , pp. 5648
    • Becke, A.D.1
  • 49
    • 33645898818 scopus 로고
    • Perdew JP, Wang Y (1992) Phys Rev 845:13244; Perdew JP In: Ziesche P, Eischrig H (eds) Electronic Structure of Solids, Akademie Verlag, Berlin (1991) Perdew JP, Chevary JA, Vosko SH, Jackson KA, Pederson MR, Singh DJ, Fiolhais C (1992) Phys Rev B46:6671
    • (1992) Phys Rev , vol.845 , pp. 13244
    • Perdew, J.P.1    Wang, Y.2
  • 50
    • 0003754095 scopus 로고
    • Ziesche P, Eischrig H (eds) Akademie Verlag, Berlin
    • Perdew JP, Wang Y (1992) Phys Rev 845:13244; Perdew JP In: Ziesche P, Eischrig H (eds) Electronic Structure of Solids, Akademie Verlag, Berlin (1991) Perdew JP, Chevary JA, Vosko SH, Jackson KA, Pederson MR, Singh DJ, Fiolhais C (1992) Phys Rev B46:6671
    • (1991) Electronic Structure of Solids
    • Perdew, J.P.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.