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• W2037630910 abstract "It is shown that classical electrostatics quantitatively describes both the binding of the diatomic ligands XO (X = C, N, O) to the heme group in myoglobin and the dependence of their vibrational frequencies upon an external field, the vibrational Stark effect. The key is a proper treatment of induced dipoles. The results suggest that ligand binding occurs via an “electrostatic bond”, a generalization of the standard ionic bond to include induction, and, more generally, that classical electrostatics can replace quantum mechanics for a considerable simplification of some complex problems." @default.
• W2037630910 created "2016-06-24" @default.
• W2037630910 creator A5009420846 @default.
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• W2037630910 date "2006-11-16" @default.
• W2037630910 modified "2023-09-26" @default.
• W2037630910 title "Classical Molecular Electrostatics: Recognition of Ligands in Proteins and the Vibrational Stark Effect" @default.
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• W2037630910 doi "https://doi.org/10.1021/jp063971v" @default.
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