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Volumn 109, Issue 12, 1998, Pages 4864-4872

On the local and nonlocal components of solvation thermodynamics and their relation to solvation shell models

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001426197     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.477097     Document Type: Article
Times cited : (45)

References (20)
  • 9
    • 21544476956 scopus 로고    scopus 로고
    • note
    • We have discussed this manuscript with Cann and Patey, and they now agree with the microscopic analysis of the local and nonlocal components of solvation thermodynamics presented here.
  • 10
    • 21544453005 scopus 로고    scopus 로고
    • note
    • A partial molar quantity consists of an excess contribution (from differentiation of the excess chemical potential) and an ideal contribution (from differentiation of the ideal part of the chemical potential).
  • 13
    • 21544482822 scopus 로고    scopus 로고
    • note
    • The integral involved in Eq. (7), although taken over the total volume of the system, is independent of the ensemble because the contribution coming from the region outside the intermolecular interaction range is absent.
  • 14
    • 21544450502 scopus 로고    scopus 로고
    • note
    • Although the binding energy in the pure solvent is independent of the position, its dependence on the orientation is actually first order in 1/N. The following discussion is then valid when the orientational averaging is properly performed for B̄ and ρ̄ and x is redefined as the position of a solvent molecule. Similar points also appear in other parts of the paper. We do not state these points explicitly in the text since they can be circumvented by redefining the notation in trivial manners.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.