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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Characterization of biaryl torsional energetics and its treatment in OPLS all-atom force fields

Markus K Dahlgren1, Patric Schyman, Julian Tirado-Rives

  • 1Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, United States.

Journal of Chemical Information and Modeling
|April 30, 2013
PubMed

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