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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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Temperature dependence of vibrational modes of CH3CC(ads) and I(ads) coadsorbed on Ag(111): ab initio molecular

Jyh Shing Lin1, Shao-Yu Lu, Po-Jung Tseng

  • 1Department of Chemistry, Tamkang University, Tamsui, Taiwan 25137. jsl@mail.tku.edu.tw.

Journal of Computational Chemistry
|March 8, 2012
PubMed

Keywords:
Ag(111) surfaceAlkyne couplingFourier transformab initio molecular dynamicsautocorrelation functionvibrational modes

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