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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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Comparison of DFT methods for molecular structure and vibration spectra of ofloxacin calculations

Yue Yang1, Hongwei Gao

  • 1Institute of Watershed Science and Environmental Ecology, Wenzhou Medical College, Zhejiang, 325035, China.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|November 1, 2011
PubMed

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