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Volumn 89, Issue 14, 2002, Pages

Reassigning hydrogen-bond centering in dense ice

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ATOMS; CALCULATIONS; COMPUTER SIMULATION; ENERGY DISPERSIVE SPECTROSCOPY; EQUATIONS OF STATE; HYDROGEN BONDS; MOLECULAR CRYSTALS; ORDER DISORDER TRANSITIONS; STATISTICAL METHODS; WATER; X RAY DIFFRACTION ANALYSIS;

EID: 45849154593     PISSN: 00319007     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article
Times cited : (55)

References (33)
  • 11
    • 0000821784 scopus 로고    scopus 로고
    • K. Aoki et al., Phys. Rev. B 54, 15 673 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 15673
    • Aoki, K.1
  • 16
    • 0000189935 scopus 로고    scopus 로고
    • M. Song et al., Phys. Rev. B 60, 12 644 (1999).
    • (1999) Phys. Rev. B , vol.60 , pp. 12644
    • Song, M.1
  • 26
    • 0011214962 scopus 로고
    • computer code CPMD, MPI FKF and IBM Zurich
    • J. Hutter et al., computer code CPMD, MPI FKF and IBM Zurich, 1995-1999.
    • (1995)
    • Hutter, J.1
  • 29
    • 0011206711 scopus 로고    scopus 로고
    • note
    • I.
  • 30
    • 0011242935 scopus 로고
    • edited by J. A. Ibers and W. C. Hamilton (Kynoch Press, Birmingham)
    • International Tables for X-Ray Crystallography, edited by J. A. Ibers and W. C. Hamilton (Kynoch Press, Birmingham, 1974), Vol. IV.
    • (1974) International Tables for X-Ray Crystallography , vol.4
  • 31
    • 36549101039 scopus 로고
    • note
    • K. S. Schweizer and F. H. Stillinger, J. Chem. Phys. 80, 1230 (1984); note that a hydrogen bond is considered to be centered if the single bond proton density is peaked at the bond midpoint.
    • (1984) J. Chem. Phys. , vol.80 , pp. 1230
    • Schweizer, K.S.1    Stillinger, F.H.2
  • 33
    • 36849099145 scopus 로고
    • note
    • W. B. Holzapfel, J. Chem. Phys. 56, 712 (1972); note that a hydrogen bond is considered to be centered if the equilibrium position of the proton is identical to the center of the bond
    • (1972) J. Chem. Phys. , vol.56 , pp. 712
    • Holzapfel, W.B.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.