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Volumn 110, Issue 47, 2006, Pages 12864-12869

Binding energies of first row diatomics in the light of the interacting quantum atoms approach

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CHEMICAL BONDS; DEFORMATION; REACTION KINETICS;

EID: 33846083401     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp063607w     Document Type: Article
Times cited : (91)

References (36)
  • 4
    • 0004284191 scopus 로고    scopus 로고
    • Cooper, D. L, Ed, Elsevier: Amsterdam
    • Cooper, D. L., Ed. Valence Bond Theory; Elsevier: Amsterdam, 2002.
    • (2002) Valence Bond Theory
  • 13
    • 0141854824 scopus 로고    scopus 로고
    • Caldow, G. L.; Coulson, C. A. Trans. Fraday Soc. 1962, 58, 633.
    • Caldow, G. L.; Coulson, C. A. Trans. Fraday Soc. 1962, 58, 633.
  • 18
    • 0003495717 scopus 로고
    • Oxford University Press: Oxford, U.K
    • Bader, R. F. W. Atoms in Molecules; Oxford University Press: Oxford, U.K., 1990.
    • (1990) Atoms in Molecules
    • Bader, R.F.W.1
  • 26
    • 33846112670 scopus 로고    scopus 로고
    • Li2 shows a non-nuclear attractor at its equillibrium geometry. Because our purpose in this paper is to compare quantities across systems, we have apportioned half the attractor's basin to each of the Li atoms by using the plane bisecting the intemuclear axis. This is indeed a zero-flux surface, so we do not leave the QTAM in the procedure
    • 2 shows a non-nuclear attractor at its equillibrium geometry. Because our purpose in this paper is to compare quantities across systems, we have apportioned half the attractor's basin to each of the Li atoms by using the plane bisecting the intemuclear axis. This is indeed a zero-flux surface, so we do not leave the QTAM in the procedure.
  • 27
    • 33846085166 scopus 로고    scopus 로고
    • Calculated with respect to appropriate references. The choice of reference is an important issue when large charge transfers among different quantum atoms are in effect
    • Calculated with respect to appropriate references. The choice of reference is an important issue when large charge transfers among different quantum atoms are in effect.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.