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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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A new ab initio intermolecular potential energy surface and predicted rotational spectra of the Ar-H2S complex

Jinping Lei1, Yanzi Zhou, Daiqian Xie

  • 1Key Laboratory of Mesoscopic Chemistry, Institute of Theoretical and Computational Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, China.

The Journal of Chemical Physics
|March 3, 2012
PubMed

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