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Improved Atoms-in-Molecule Charge Partitioning Functional for Simultaneously Reproducing the Electrostatic Potential and Chemical States in Periodic and Nonperiodic Materials
Manz, Thomas A., Sholl, David S.Volume:
8
Langue:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct3002199
Date:
August, 2012
Fichier:
PDF, 1.75 MB
english, 2012