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Volumn 306, Issue 5697, 2004, Pages 851-853

Energetics of hydrogen bond network rearrangements in liquid water

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; ICE; JETS; MELTING; SUPERCOOLING; THERMAL EFFECTS; WATER; X RAY ANALYSIS;

EID: 7444231098     PISSN: 00368075     EISSN: None     Source Type: Journal    
DOI: 10.1126/science.1102560     Document Type: Article
Times cited : (516)

References (26)
  • 1
    • 2342558053 scopus 로고    scopus 로고
    • Ph. Wernet et al., Science 304, 995 (2004).
    • (2004) Science , vol.304 , pp. 995
    • Wernet, Ph.1
  • 18
    • 7444227904 scopus 로고    scopus 로고
    • note
    • pre) = -ΔE/RT + ln(a) where a is a constant with respect to temperature. If other H-bonding configurations also produce appreciable absorption in these regions, we would expect deviations from linearity. Therefore, the quality of the linear fit evident in Fig. 2 is an indication that this simple model is appropriate, at least as a first approximation. This type of analysis is similar to that used to interpret the temperature-dependent Raman spectrum of liquid water (19, 20).
  • 23
    • 7444239547 scopus 로고    scopus 로고
    • note
    • The energetic cutoff is defined such that two molecules are considered H-bonded to one another only if the computed pair potential is less than -4 kcal/mol. Furthermore, if any molecule has more than four H bonds according to the cutoff, only the four strongest bonds are considered.
  • 26
    • 7444232014 scopus 로고    scopus 로고
    • note
    • Supported by the National Defense Science and Engineering Graduate Fellowship Program (C.D.C.) and by the Chemical Sciences Division of the U.S. Department of Energy. This research was carried out at the Advanced Light Source (ALS) beamline 8.0.1, Lawrence Berkeley National Laboratory. The Advanced Light Source is supported by the Office of Basic Energy Sciences, Materials Sciences Division, of the U.S. Department of Energy under contract DE-AC03-76SF00098 at Lawrence Berkeley National Laboratory. We thank the ALS staff, including M. Gilles, B. Rude, and J. Denlinger, for assistance.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.