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Volumn 109, Issue 38, 2005, Pages 17771-17774

Molecular structure and OH-stretch spectra of liquid water surface

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; HYDROGEN BONDS; INTERFACIAL ENERGY; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; WATER;

EID: 26844467175     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp052819a     Document Type: Article
Times cited : (125)

References (40)
  • 15
    • 11744285418 scopus 로고    scopus 로고
    • Buch, V.; Sandler, P.; Sadlej, J. J. Phys. Chem. B 1998, 102, 8641. BMP corresponds to a modified version of the potential described in the next reference.
    • (1998) J. Phys. Chem. B , vol.102 , pp. 8641
    • Buch, V.1    Sandler, P.2    Sadlej, J.3
  • 20
    • 26844510227 scopus 로고    scopus 로고
    • note
    • -2. One may note that use of the commonly employed Ewald summation in surface studies employing slabs is problematic, e.g., Ewald summation imposes parallel dipoles in adjacent boxes, while in the physical reality, the dipoles will tend to cancel. The problem was discussed in ref 19.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.