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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
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

An accurate global potential energy surface, dipole moment surface, and rovibrational frequencies for NH(3)

Xinchuan Huang1, David W Schwenke, Timothy J Lee

  • 1NASA Ames Research Center, Moffett Field, California 94035-1000, USA. xinchuan.huang-1@nasa.gov

The Journal of Chemical Physics
|December 10, 2008
PubMed

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