Polarizabilities of Atoms in Molecules: Choice of the Partitioning Scheme and Applications for Secondary Interactions
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DOI: 10.3390/molecules30204137
Abstract: This paper reviews methods for partitioning the molecular polarizability into atomic terms. The advantages and disadvantages of hard space or fuzzy partitioning are critically assessed and compared. Polarizability density is proposed as a key function… read more here.
Keywords: atoms molecules; secondary interactions; polarizabilities atoms; molecules choice ... See more keywords