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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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Dynamics of the O(3P) + CHD3(vCH = 0,1) reactions on an accurate ab initio potential energy surface

Gábor Czakó1, Joel M Bowman

  • 1Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, GA 30322, USA. czako@chem.elte.hu

Proceedings of the National Academy of Sciences of the United States of America
|May 9, 2012
PubMed

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