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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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Analysis of the HO2 vibrational spectrum on an accurate ab initio potential energy surface

Chuanxiu Xu1, Bin Jiang, Daiqian Xie

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

The Journal of Physical Chemistry. A
|July 3, 2007
PubMed

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