Articles with "dynamics calculations" as a keyword



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Photoisomerization of DiD: Molecular Dynamics Calculations Reveal the Influence of Tail Lengths

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Published in 2020 at "Journal of Physical Chemistry C"

DOI: 10.1021/acs.jpcc.9b10322

Abstract: The photoisomerization scheme of the cyanine based DiD probe was investigated by means of molecular modeling techniques, accounting for differences between the potential energy surfaces in the ground and excited states. Starting from the trans… read more here.

Keywords: state; molecular dynamics; photoisomerization; dynamics calculations ... See more keywords