54 citations · 174 across the 6 of their papers we have counts for
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physics.bio-ph2012★ 8 cited
Molecular Biology at the Quantum Level: Can Modern Density Functional Theory Forge the Path?
Brian Kolb, T. Thonhauser
Recent years have seen vast improvements in the ability of rigorous quantum-mechanical methods to treat systems of interest to molecular biology. In this review article, we survey…
cond-mat.mtrl-sci2012★ 28 cited
Structure and energetics of a ferroelectric organic crystal of phenazine and chloranilic acid
Kyuho Lee, Brian Kolb, T. Thonhauser +2
We report first-principles calculations for a ferroelectric organic crystal of phenazine and chloranilic acid molecules. Weak intermolecular interactions are properly treated by us…