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Volumn 110, Issue 3, 1999, Pages 1329-1337

Free energies of solvation with quantum mechanical interaction energies from classical mechanical simulations

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0000641342     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478009     Document Type: Article
Times cited : (78)

References (30)
  • 19
    • 0004275235 scopus 로고
    • Daresbury Laboratory, Daresbury: Warrington, England
    • T. R. Forester, and W. Smith, DL_POLY_2.0 Daresbury Laboratory, Daresbury: Warrington, England 1995.
    • (1995) DL_POLY_2.0
    • Forester, T.R.1    Smith, W.2
  • 20
    • 85034531371 scopus 로고    scopus 로고
    • note
    • We have modified the DL_POLY software package to include the TIP4P-FQ water model.
  • 24
    • 84871008794 scopus 로고
    • Gaussian, Inc., Pittsburgh, PA
    • GAUSSIAN 94, Gaussian, Inc., Pittsburgh, PA, 1995.
    • (1995) GAUSSIAN 94


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.