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Volumn 113, Issue 12, 2000, Pages 4974-4984

Molecular Ornstein-Zernike approach to the solvent effects on solute electronic structures in solution

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CHARGE TRANSFER; CURVE FITTING; ELECTRONIC STRUCTURE; ELECTRONS; FREE ENERGY; INTEGRAL EQUATIONS; MOLECULAR DYNAMICS; MOLECULES; PROBABILITY DISTRIBUTIONS; SOLUTIONS; SOLVENTS;

EID: 84961981221     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1289465     Document Type: Article
Times cited : (45)

References (46)
  • 9
    • 36449005091 scopus 로고
    • S. Ten-no, F. Hirata, and S. Kato, Chem. Phys. Lett. 214, 391 (1993); J. Chem. Phys. 100, 7443 (1994).
    • (1994) J. Chem. Phys. , vol.100 , pp. 7443
  • 36
    • 84857124484 scopus 로고
    • W. F. Murphy, J. Chem. Phys. 79, 926 (1983); D. Eisenberg and W. Kauzmann, The Structure and Properties of Water (Clarendon, Oxford, 1969).
    • (1983) J. Chem. Phys. , vol.79 , pp. 926
    • Murphy, W.F.1
  • 39
    • 85001706647 scopus 로고    scopus 로고
    • note
    • The present PCM results including Pauli repulsion and dispersion contributions are slightly different from those in Ref. 22, which are attributed to the difference in the basis set and solute geometry.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.