CO Molecules on a NaCl(100) Surface: Structures, Energetics, and Vibrational Davydov Splittings at Various Coverages
Author:
Affiliation:
1. Institut für Chemie, Universität Potsdam, Karl-Liebknecht-Straße 24-25, D-14476 Potsdam-Golm, Germany
2. Institut für Chemie, Karl Franzens Universität Graz, Heinrichstraße 28, A-8010 Graz, Austria
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.6b03726
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5. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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