ListarArtículos (Química Física) por materia "MD simulations"
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Artículo
A general purpose acetonitrile interaction potential to describe its liquid, solid and gas phases
(Elsevier, 2020)A flexible and polarizable force field to describe acetonitrile in its three states of matter has been developed on the ...
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Biomimetic polymers of plant cutin: An approach from molecular modeling
(Springer, 2014)Biomimetics of materials is based on adopting and reproducing a model in nature with a well-defined functionality optimized ...
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Combining EXAFS and computer simulations to refine the structural description of actinyls in water
(Multidisciplinary Digital Publishing Institute (MDPI), 2020)EXAFS spectroscopy is one of the most used techniques to solve the structure of actinoid solutions. In this work a systematic ...