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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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Altering intra- to inter-molecular hydrogen bonding by dimethylsulfoxide: A TDDFT study of charge transfer for

Xiaochun Liu1, Hang Yin1, Hui Li1

  • 1Institute of Atomic and Molecular Physics, Jilin Provincial Key Laboratory of Applied Atomic and Molecular Spectroscopy, Jilin University, Changchun 130012, China.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|January 21, 2017
PubMed

Keywords:
DFT/TDDFTHydrogen bondingInfrared spectraIntramolecular charge transfer

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