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Volumn 482, Issue 1-3, 2009, Pages 1-14

Towards the complete understanding of water by a first-principles computational approach

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL APPROACH; EMPIRICAL METHOD; FIRST-PRINCIPLES; FIRST-PRINCIPLES APPROACHES; FIT PARAMETERS; THEORETICAL INVESTIGATIONS; WATER MODELS;

EID: 72149094875     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.09.029     Document Type: Article
Times cited : (90)

References (194)
  • 14
    • 0001660805 scopus 로고    scopus 로고
    • von Ragué Schleyer P., Allinger N.L., Clark T., Gasteiger J., Kollman P.A., Schaefer III H.F., and Schreiner P.R. (Eds), Wiley, Chichester, UK
    • Jeziorski B., and Szalewicz K. In: von Ragué Schleyer P., Allinger N.L., Clark T., Gasteiger J., Kollman P.A., Schaefer III H.F., and Schreiner P.R. (Eds). Encyclopedia of Computational Chemistry vol. 2 (1998), Wiley, Chichester, UK 1376
    • (1998) Encyclopedia of Computational Chemistry , vol.2 , pp. 1376
    • Jeziorski, B.1    Szalewicz, K.2
  • 35
    • 72149103067 scopus 로고    scopus 로고
    • in preparation
    • W. Cencek et al., in preparation.
    • Cencek, W.1
  • 164
    • 72149119808 scopus 로고    scopus 로고
    • note
    • In [82] a comparison was also made with another RDF from Ref. [161] denoted as 'Experiment (b)'. This curve was plotted from data on the web page cited in Ref. [161] and was mistakenly assumed to correspond to the 'reactor data' curve of Fig. 6 in Ref. [161], whereas it represents high-pressure data. Thus, the comparisons of theory results at ambient pressure with the Experiment (b) curve are not appropriate.
  • 177
    • 2342558053 scopus 로고    scopus 로고
    • Wernet P., et al. Science 304 (2004) 995
    • (2004) Science , vol.304 , pp. 995
    • Wernet, P.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.