Articles with "improvement molecular" as a keyword



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Improvement of molecular dynamics simulation method applied to nematics doped with racemic metal complexes

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Published in 2017 at "Molecular Crystals and Liquid Crystals"

DOI: 10.1080/15421406.2017.1289602

Abstract: ABSTRACT In order to carry out MD simulations for the racemic system consisting of two different enantiomers of a chiral ruthenium complex and nematic liquid crystal molecules accurately, we here proposed modified force field parameters… read more here.

Keywords: method applied; improvement molecular; molecular dynamics; chiral dopant ... See more keywords