Journal
INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2009 (ICCMSE 2009)
Volume 1504, Issue -, Pages 586-589Publisher
AMER INST PHYSICS
DOI: 10.1063/1.4771764
Keywords
polarizabilities; additivity; connectivity; electronegativity equalization; charge equilibration
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Simple models for estimating the isotropic dipole polarizability of a molecule as the sum of polarizabilities of molecular subunits are reviewed. As an aid to the classification and understanding of such models, a hierarchy is defined in terms of the information required to perform the estimation.
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