4.2 Article

A simplified empirical model for approximation of the 'bond valence-bond length' correlation for H-O bonds

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Publisher

WILEY-BLACKWELL
DOI: 10.1107/S0108768111010408

Keywords

bond-valence model; hydrogen bonding

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The `bond valence (s)-bond length (r)' correlation reported earlier for H-O bonds [Brown (2009). Chem. Rev. 109, 6858-6919] has been closely approximated using the function s = (alpha - beta r)1/gamma, where alpha = 1.185 (10), beta = 0.321 (8) and gamma = 0.36.

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