Accurate water properties from an efficient ab-initio method.
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DOI: 10.1021/acs.jctc.9b01018
Abstract: Accurate prediction of the water properties from a low-cost ab-initio method is still a foremost problem for chemists and physicists. Though density functional approaches starting from semilocal to hybrid exchange-correlation functionals are tested, those are… read more here.
Keywords: properties efficient; accurate water; water; method ... See more keywords