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Volumn 304, Issue 5674, 2004, Pages 1137-1140

Infrared signature of structures associated with the H+(H 2O)n (n = 6 to 27) clusters

Author keywords

[No Author keywords available]

Indexed keywords

ALCOHOLS; HYDROGEN BONDS; INFRARED SPECTROSCOPY; MOLECULAR VIBRATIONS; STRUCTURAL ANALYSIS;

EID: 2442660169     PISSN: 00368075     EISSN: None     Source Type: Journal    
DOI: 10.1126/science.1096466     Document Type: Article
Times cited : (559)

References (32)
  • 18
    • 0037470409 scopus 로고    scopus 로고
    • K. R. Asmis et al., Science 299, 1375 (2003).
    • (2003) Science , vol.299 , pp. 1375
    • Asmis, K.R.1
  • 19
    • 0000902444 scopus 로고
    • F. Franks, Ed. (Plenum, New York)
    • D. W. Davidson, in Water: A Comprehensive Treatise, F. Franks, Ed. (Plenum, New York, 1973), vol. 2, pp. 115-234.
    • (1973) Water: A Comprehensive Treatise , vol.2 , pp. 115-234
    • Davidson, D.W.1
  • 24
    • 2442644665 scopus 로고    scopus 로고
    • note
    • n clusters does not display a pronounced intensity anomaly at n = 21, as did the electron impact source, which yields the distribution shown in Fig. 1.
  • 25
    • 0038626673 scopus 로고    scopus 로고
    • Gaussian, Pittsburgh, PA
    • M. J. Frisch et al., Gaussian 03 (Gaussian, Pittsburgh, PA, 2003).
    • (2003) Gaussian 03
    • Frisch, M.J.1
  • 26
    • 2442659764 scopus 로고    scopus 로고
    • note
    • The calculations were performed with the Becke3LYP density functional with the aug-cc-pVDZ† basis set, which was formed by omitting the diffuse functions from the H atoms in the full aug-cc-pVDZ basis set. The geometries were optimized with the use of anatytical gradients, and, for each optimized structure, the vibrational frequencies and intensities were calculated in the harmonic approximation.
  • 32
    • 2442719691 scopus 로고    scopus 로고
    • note
    • M.A.D., M.A.J., and K.D.J. thank NSF for support of this work under grants 0244143, 0111245, and 0078528. M.A.J. also thanks the U.S. Department of Energy under grant DE-FG02-00ER15066 for generous support of this work. K.D.J. also thanks the Pittsburgh Supercomputing Center and the Maui High Performance Computing Center for making available computational resources.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.