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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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DFT computations and spectroscopic analysis of p-bromoacetanilide

T Gnanasambandan1, S Gunasekaran2, S Seshadri3

  • 1Department of Physics, SCSVMV University, Enathur, Kanchipuram 631561, India; Department of Physics, Pallavan College of Engineering, Kanchipuram 631502, India.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|December 17, 2013
PubMed

Keywords:
B3LYPMPW1PW91NBONLMOPBA

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