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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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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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First-Principles Simulation Study of Vibrational Spectral Diffusion and Hydrogen Bond Fluctuations in Aqueous

Vivek Kumar Yadav1, Amalendu Chandra1

  • 1Department of Chemistry, Indian Institute of Technology, Kanpur, India 208016.

The Journal of Physical Chemistry. B
|July 21, 2015
PubMed

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