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Volumn 106, Issue 19, 1997, Pages 8135-8139

Effects of long-range electrostatic potential truncation on the free energy of ionic hydration

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EID: 0000078301     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.473800     Document Type: Article
Times cited : (68)

References (21)
  • 2
    • 0000009663 scopus 로고
    • P. P. Ewald, Ann. Phys. 64, 253 (1921); S. W. de Leeuw, J. W. Perram, and E. R. Smith, Proc. R. Soc. London Ser. A 373, 27 (1980).
    • (1921) Ann. Phys. , vol.64 , pp. 253
    • Ewald, P.P.1
  • 8
    • 0000174678 scopus 로고
    • J. E. Roberts and J. Schnitker, J. Chem. Phys. 101, 5024 (1994); 99, 1322 (1995).
    • (1995) J. Chem. Phys. , vol.99 , pp. 1322
  • 10
  • 13
    • 85033308070 scopus 로고    scopus 로고
    • note
    • It should be noted that in Wood's method the MPT Hamiltonian is considered to be a short-ranged potential that is easily simulated. Corrections are applied for the difference between the short- and long-range Hamiltonians. An alternate method is to consider the MPT system as a Coulomb system that needs "surface" corrections at the truncation distance, yielding essentially a reaction field Hamiltonian (see Ref. 6).
  • 15
    • 85052507481 scopus 로고
    • Clarendon, Oxford
    • N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller, and E. Teller, J. Chem. Phys. 21, 1087 (1953); M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987).
    • (1987) Computer Simulation of Liquids
    • Allen, M.P.1    Tildesley, D.J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.