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Volumn 109, Issue 6, 2005, Pages 955-958

Comparative FTIR spectroscopy of HX adsorbed on solid water: Ragout-jet water clusters vs ice nanocrystal arrays

Author keywords

[No Author keywords available]

Indexed keywords

NANOCRYSTAL ARRAYS; SOLID WATER; SUPERSONIC JETS; WATER CLUSTERS;

EID: 14544273618     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp044212k     Document Type: Article
Times cited : (26)

References (20)
  • 12
    • 3342944287 scopus 로고    scopus 로고
    • Buch, V., Devlin, J. P., Eds.; Springer: Berlin; Chapter 17
    • Devlin, J. P.; Buch, V. In Water in Confining Geometries; Buch, V., Devlin, J. P., Eds.; Springer: Berlin, 2003; Chapter 17, p 425.
    • (2003) Water in Confining Geometries , pp. 425
    • Devlin, J.P.1    Buch, V.2
  • 13
    • 84860097768 scopus 로고    scopus 로고
    • 16 Calculations were at the BLYP/DZVP level. The Born - Oppenheimer energy and the forces were evaluated at each MD step. The code employs periodic boundaries with the simulated cluster in a box of 11 Å dimension. The spectrum was estimated as the squared Fourier transform of the cluster dipole, averaged over three perpendicular directions
    • 16 Calculations were at the BLYP/DZVP level. The Born - Oppenheimer energy and the forces were evaluated at each MD step. The code employs periodic boundaries with the simulated cluster in a box of 11 Å dimension. The spectrum was estimated as the squared Fourier transform of the cluster dipole, averaged over three perpendicular directions.
  • 15
    • 84860106832 scopus 로고    scopus 로고
    • CP2K; http://cp2k.berlios.de (2000-2004).
    • (2000)


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.