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Volumn 119, Issue 2, 2003, Pages 902-908

Electron detachment energies in high-symmetry alkali halide solvated-electron anions

Author keywords

[No Author keywords available]

Indexed keywords

ALKALI METALS; CORRELATION METHODS; ELECTRON ENERGY LEVELS; ELECTROSTATICS; POLARIZATION; SOLVENTS;

EID: 0041767348     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1580113     Document Type: Article
Times cited : (6)

References (30)
  • 29
    • 0042652721 scopus 로고    scopus 로고
    • note
    • The equilibrium anionic structure for KF and KCl dimers and trimers as well as the corresponding electron binding energies were calculated with the 6-311+ +G** rather than aug-cc-pVDZ basis sets because the latter basis set is not available for potassium. In addition, the 6-311+ +G** basis was supplemented with the additional 6(sp)4d set of diffuse functions centered in the center of each system.
  • 30
    • 0003438540 scopus 로고
    • Cornell University Press, Ithaca, NY
    • Pauling ionic radii for Li, Na, and K were taken from L. Pauling, The Nature of the Chemical Bond, 3rd ed. (Cornell University Press, Ithaca, NY, 1960), p. 514.
    • (1960) The Nature of the Chemical Bond, 3rd Ed. , pp. 514
    • Pauling, L.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.