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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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Accuracy of density functionals in the description of dispersion interactions and IR spectra of phosphates and

Ashwani Sharma1, Gilles Ohanessian, Carine Clavaguéra

  • 1Laboratoire de Chimie Moléculaire, Department of Chemistry, Ecole Polytechnique, CNRS, 91128, Palaiseau Cedex, France.

Journal of Molecular Modeling
|August 23, 2014
PubMed

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