"Hydrogen bonding in diols and binary diol-water systems investigated using ..."

Roger A. Klein (2003)

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DOI: 10.1002/JCC.10256

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type: Journal Article

metadata version: 2020-04-01

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Roger A. Klein:
Hydrogen bonding in diols and binary diol-water systems investigated using DFT methods. II. Calculated infrared OH-stretch frequencies, force constants, and NMR chemical shifts correlate with hydrogen bond geometry and electron density topology. A reevaluation of geometrical criteria for hydrogen bonding. J. Comput. Chem. 24(9): 1120-1131 (2003)

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