Application of the ChIMES Force Field to Nonreactive Molecular Systems: Water at Ambient Conditions.
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DOI: 10.1021/acs.jctc.8b00831
Abstract: We demonstrate development of the Chebyshev Interaction Model for Efficient Simulation (ChIMES) for molecular systems through application to water under ambient conditions (298 K, 1 g/cm3). These models, which are comprised of linear combinations of… read more here.
Keywords: molecular systems; ambient conditions; application chimes; chimes force ... See more keywords