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Volumn 26, Issue 3, 2001, Pages 217-235

Two algorithms for defining atoms and molecules in condensed phases

Author keywords

Electron density; Modeling; Molecular dipole

Indexed keywords


EID: 0001258017     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927020108028294     Document Type: Article
Times cited : (8)

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  • 3
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  • 5
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    • The electrostatic properties of water molecules in condensed phases: An ab initio study
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    • Delle Site, L.1    Alavi, A.2    Lynden-Bell, R.M.3
  • 6
    • 0346771654 scopus 로고    scopus 로고
    • Ph.D. Thesis, The Queen's University of Belfast
    • Delle Site, L., "Ab initio study of Water", Ph.D. Thesis, The Queen's University of Belfast, 1999.
    • (1999) Ab Initio Study of Water
    • Delle Site, L.1
  • 7
    • 0038580932 scopus 로고
    • Generating the triangulations of the projective plane
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    • Barnette, D.W.1
  • 8
    • 51249173713 scopus 로고
    • All orientable 2-manifolds have finitely many minimal triangulations
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  • 9
    • 51249173602 scopus 로고
    • All 2-manifolds have finitely many minimal triangulations
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    • Barnette, D.W.1    Edelson, A.L.2
  • 12
    • 0346141205 scopus 로고    scopus 로고
    • Path integrals and ab initio molecular dynamics
    • Binder, K. and Ciccotti, G. Eds., Bologna, SIF
    • Alavi, A. (1996). "Path integrals and ab initio molecular dynamics", In: Monte Carlo and Molecular Dynamics of Condensed Matter System, Binder, K. and Ciccotti, G. Eds., 49, Bologna, SIF.
    • (1996) Monte Carlo and Molecular Dynamics of Condensed Matter System , vol.49
    • Alavi, A.1
  • 14
    • 18344379950 scopus 로고    scopus 로고
    • Water molecule dipole in the gas and in the liquid phase
    • Silvestrelli, P. L. and Parrinello, M. (1999). "Water molecule dipole in the gas and in the liquid phase", Phys. Rev. Lett., 82, 3308.
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    • Silvestrelli, P.L.1    Parrinello, M.2
  • 15
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    • Molecular multipole moments of water molecules in ice lh
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    • (1998) J. Chem. Phys. , vol.109 , pp. 4546
    • Batista, E.R.1    Xantheas, S.S.2    Jonsson, H.3
  • 16
    • 0000883419 scopus 로고
    • Dipole moment of the water molecule in the condensed phase - A periodic Hartree-Fock estimate
    • Gatti, C., Silvi, B. and Colonna, F. (1995). "Dipole moment of the water molecule in the condensed phase - a periodic Hartree-Fock estimate", Chem. Phys. Lett., 247, 135.
    • (1995) Chem. Phys. Lett. , vol.247 , pp. 135
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.