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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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Fragment quantum chemical approach to geometry optimization and vibrational spectrum calculation of proteins

Jinfeng Liu1, John Z H Zhang, Xiao He

  • 1State Key Laboratory of Precision Spectroscopy, Institute of Theoretical and Computational Science, College of Chemistry and Molecular Engineering, East China Normal University, Shanghai, 200062, China. xiaohe@phy.ecnu.edu.cn.

Physical Chemistry Chemical Physics : PCCP
|December 22, 2015
PubMed

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