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Resolution of molecular polarizability into atomic terms

✍ Scribed by P. Lazzeretti; R. Zanasi

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
211 KB
Volume
109
Category
Article
ISSN
0009-2614

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## Abstract Classical force fields describe the interaction between atoms that are bonded or nonbonded via simple potential energy expressions. Their parameters are often determined by fitting to __ab initio__ energies and electrostatic potentials. A direct quantum chemical guide to constructing a