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Volumn 104, Issue 44, 2000, Pages 10242-10252

A mechanism of the ion separation of the NaCl microcrystal via the association of water clusters

Author keywords

[No Author keywords available]

Indexed keywords

ACIDITY; ASSOCIATION REACTIONS; CRYSTALLINE MATERIALS; DISSOCIATION; HYDROGEN BONDS; POLARIZATION; WATER;

EID: 0034319348     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp993222w     Document Type: Article
Times cited : (35)

References (22)
  • 1
    • 33645953570 scopus 로고
    • Charles, E., Ed.; Merrill Books: Columbus, OH, Chapter 10
    • See for instance: Brown, T. L. In General Chemistry; Charles, E., Ed.; Merrill Books: Columbus, OH, 1963; Chapter 10.
    • (1963) General Chemistry
    • Brown, T.L.1
  • 20
    • 84890021933 scopus 로고
    • 2O in n = 1a of Figure 2 is computed to be 30.7 kcal/mol, which is unreasonably larger than the 11.8 kcal/mol calculated at the B3LYP/6-311+G(2d,p) level. The bases set superposition error (BSSE) is checked for the RHF/3-21G energy according to Boys and Bernardi counterpoise correction (Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553). The corrected RHF/3-21G energy is 17.5 kcal/mol, which is considerably smaller than 30.7 kcal/mol but still somewhat larger than the reliable value, 11.8 kcal/mol.
    • (1970) Mol. Phys. , vol.19 , pp. 553
    • Correction, B.C.1    Boys, S.F.2    Bernardi, F.3
  • 21
    • 85088334607 scopus 로고    scopus 로고
    • note
    • - dissociation models do not involve such method dependence.
  • 22
    • 0010827721 scopus 로고
    • + ions is small (=0.97 Å), and the cation was classified to the hard-acid group (Pearson, R. G. J. Chem. Educ. 1968, 45, 581).
    • (1968) J. Chem. Educ. , vol.45 , pp. 581
    • Pearson, R.G.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.