Accurate Molecular Crystal Lattice Energies from a Fragment QM/MM Approach with On-the-Fly Ab Initio Force Field Parametrization

Title
Accurate Molecular Crystal Lattice Energies from a Fragment QM/MM Approach with On-the-Fly Ab Initio Force Field Parametrization
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 7, Issue 11, Pages 3733-3742
Publisher
American Chemical Society (ACS)
Online
2011-10-20
DOI
10.1021/ct200541h

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