Unassigned distance geometry and molecular conformation problems
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DOI: 10.1007/s10898-021-01023-0
Abstract: 3D protein structures and nanostructures can be obtained by exploiting distance information provided by experimental techniques, such as nuclear magnetic resonance and the pair distribution function method. These are examples of instances of the unassigned… read more here.
Keywords: distance; geometry molecular; geometry; unassigned distance ... See more keywords
Geometry of Molecular Motions in Dye Monolayers at Various Coverages
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b02416
Abstract: Molecular motion in monolayers is thought to influence the kinetics of charge transport and recombination in systems such as dye-sensitized solar cells (DSSCs). In this work, we use ab initio molecular dynamics to evaluate the… read more here.
Keywords: dye monolayers; motions dye; monolayers various; molecular motions ... See more keywords