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In situ FTIR Spectroscopy as a Tool for Investigation of Gas/Solid Interaction: Water-Enhanced CO2 Adsorption in UiO-66 Metal-Organic Framework
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High-Level, First-Principles, Full-Dimensional Quantum Calculation of the Ro-vibrational Spectrum of the Simplest

Jun Li1, Stuart Carter2, Joel M Bowman2

  • 1†Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131, United States.

The Journal of Physical Chemistry Letters
|August 18, 2015
PubMed

Keywords:
Criegee intermediateab initio calculationspotential energy surfacero-vibrational spectrum

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