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Volumn 273, Issue 5-6, 1997, Pages 360-366

Ab initio molecular dynamics of ion solvation. The case of Be2+ in water

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EID: 0031586190     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)00618-0     Document Type: Article
Times cited : (155)

References (43)
  • 4
    • 84947362301 scopus 로고
    • [4] D.K. Remler, P.A. Madden, Mol. Phys. 70 (1990) 921; G. Galli, M. Parrinello, in: Computer Simulations in Materials Science, Eds. M. Meyer, V. Pontikis (Kluwer, Dordrecht, 1991); M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias, J.D. Joannopoulos, Rev. Mod. Phys. 64 (1992) 1045; G. Galli, A. Pasquarello, in: Computer Simulation in Chemical Physics, Eds. M.P. Allen, D.J. Tildesley (Kluwer, Dordrecht, 1993).
    • (1990) Mol. Phys. , vol.70 , pp. 921
    • Remler, D.K.1    Madden, P.A.2
  • 5
    • 84947362301 scopus 로고
    • Eds. M. Meyer, V. Pontikis Kluwer, Dordrecht
    • [4] D.K. Remler, P.A. Madden, Mol. Phys. 70 (1990) 921; G. Galli, M. Parrinello, in: Computer Simulations in Materials Science, Eds. M. Meyer, V. Pontikis (Kluwer, Dordrecht, 1991); M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias, J.D. Joannopoulos, Rev. Mod. Phys. 64 (1992) 1045; G. Galli, A. Pasquarello, in: Computer Simulation in Chemical Physics, Eds. M.P. Allen, D.J. Tildesley (Kluwer, Dordrecht, 1993).
    • (1991) Computer Simulations in Materials Science
    • Galli, G.1    Parrinello, M.2
  • 6
    • 11944256577 scopus 로고
    • [4] D.K. Remler, P.A. Madden, Mol. Phys. 70 (1990) 921; G. Galli, M. Parrinello, in: Computer Simulations in Materials Science, Eds. M. Meyer, V. Pontikis (Kluwer, Dordrecht, 1991); M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias, J.D. Joannopoulos, Rev. Mod. Phys. 64 (1992) 1045; G. Galli, A. Pasquarello, in: Computer Simulation in Chemical Physics, Eds. M.P. Allen, D.J. Tildesley (Kluwer, Dordrecht, 1993).
    • (1992) Rev. Mod. Phys. , vol.64 , pp. 1045
    • Payne, M.C.1    Teter, M.P.2    Allan, D.C.3    Arias, T.A.4    Joannopoulos, J.D.5
  • 7
    • 84947362301 scopus 로고
    • Eds. M.P. Allen, D.J. Tildesley Kluwer, Dordrecht
    • [4] D.K. Remler, P.A. Madden, Mol. Phys. 70 (1990) 921; G. Galli, M. Parrinello, in: Computer Simulations in Materials Science, Eds. M. Meyer, V. Pontikis (Kluwer, Dordrecht, 1991); M.C. Payne, M.P. Teter, D.C. Allan, T.A. Arias, J.D. Joannopoulos, Rev. Mod. Phys. 64 (1992) 1045; G. Galli, A. Pasquarello, in: Computer Simulation in Chemical Physics, Eds. M.P. Allen, D.J. Tildesley (Kluwer, Dordrecht, 1993).
    • (1993) Computer Simulation in Chemical Physics
    • Galli, G.1    Pasquarello, A.2
  • 10
    • 6944254199 scopus 로고
    • [6] C. Lee, D. Vanderbilt, K. Laasonen, R. Car, M. Parrinello, Phys. Rev. Lett. 69 (1992) 462; Phys. Rev. B 47 (1993) 4863.
    • (1993) Phys. Rev. B , vol.47 , pp. 4863
  • 15
    • 0001468590 scopus 로고
    • [10] K. Laasonen, M.L. Klein, J. Amer. Chem. Soc. 116 (1994) 11620; J. Phys. Chem. 98 (1994) 10079.
    • (1994) J. Phys. Chem. , vol.98 , pp. 10079
  • 17
    • 0542436236 scopus 로고
    • [11] M. Tuckerman, K. Laasonen, M. Sprik, M. Parrinello, J. Phys.: Condens. Matter 6 (1994) A93; J. Phys. Chem. 99 (1995) 5749; J. Chem. Phys. 103 (1995) 150.
    • (1995) J. Phys. Chem. , vol.99 , pp. 5749
  • 18
    • 0000135791 scopus 로고
    • [11] M. Tuckerman, K. Laasonen, M. Sprik, M. Parrinello, J. Phys.: Condens. Matter 6 (1994) A93; J. Phys. Chem. 99 (1995) 5749; J. Chem. Phys. 103 (1995) 150.
    • (1995) J. Chem. Phys. , vol.103 , pp. 150
  • 36
    • 0010816214 scopus 로고    scopus 로고
    • note
    • [29] CPMD version 2.5, written by Jürg Hutter, Max-Planck-Institut für Festkörperforschung, Stuttgart (1995), with the help of the group for numerical intensive computations of IBM Research Laboratory Zürich and the Abteilung Parrinello of MPI Stuttgart.
  • 37
    • 4243553426 scopus 로고
    • [30] A. Becke, Phys. Rev. A 38 (1988) 3098; J. Chem. Phys. 96 (1992) 2155.
    • (1988) Phys. Rev. A , vol.38 , pp. 3098
    • Becke, A.1
  • 38
    • 77956779984 scopus 로고
    • [30] A. Becke, Phys. Rev. A 38 (1988) 3098; J. Chem. Phys. 96 (1992) 2155.
    • (1992) J. Chem. Phys. , vol.96 , pp. 2155


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