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Updated: Apr 4, 2026

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 spectroscopic study of sodium-1,2,4-triazole, an important intermediate compound in the synthesis of

Ferenc Billes1, Ildikó Ziegler2, Hans Mikosch3

  • 1Department of Physical Chemistry and Material Science, Budapest University of Technology and Economics, H-1521 Budapest, Budafoki út 8, Hungary; Institute for Chemical Technologies and Analytics, Vienna University of Technology, 1060 Vienna, Getreidemarkt 9/164-EC, Austria.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|September 4, 2015
PubMed

Keywords:
Hygroscopic compoundInfrared and Raman spectraModeling effect of wet environmentQuantum chemical calculationsTautomers

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