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Dispersion-correcting potentials can significantly improve the bond dissociation enthalpies and noncovalent binding energies predicted by density-functional theory
DiLabio, Gino A., Koleini, MohammadVolume:
140
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4872036
Date:
May, 2014
File:
PDF, 608 KB
english, 2014