Compatibility of Quantum Chemical Methods and Empirical (MM) Water Models in Quantum Mechanics/Molecular Mechanics Liquid Water Simulations (2009)
Attributed to:
Combined quantum mechanics/molecular mechanics (QM/MM) Monte Carlo free energy simulations: a feasibility study
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1021/jz900096p
Publication URI: http://dx.doi.org/10.1021/jz900096p
Type: Journal Article/Review
Parent Publication: The Journal of Physical Chemistry Letters
Issue: 1