Anharmonic OH vibrations in Mg(OH)2 (brucite): Two-dimensional calculations and crystal-induced blueshift
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3266507
Reference40 articles.
1. Ab initio total energy studies of minerals using density functional theory and the local density approximation
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3. Vibrational spectrum of brucite, Mg(OH)2: a periodic ab initio quantum mechanical calculation including OH anharmonicity
4. Infrared Spectra of Hydrogen-Bonded Ionic Crystals: Ab Initio Study of Mg(OH)2 and β-Be(OH)2
5. Pressure-induced OH frequency downshift in brucite: frequency-distance and frequency-field correlations
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2. Evolution Process of Ferroan Brucite under Humid Conditions with CO2 and O2;The Journal of Physical Chemistry C;2023-08-09
3. Molecular overtones and two-phonon combination bands in the near-infrared spectra of talc, brucite and lizardite;European Journal of Mineralogy;2022-12-14
4. Crystal structure, thermodynamic behavior, and luminescence properties of a new series of lanthanide halogenated aromatic carboxylic acid complexes;Arabian Journal of Chemistry;2022-09
5. A First-Principles Study on the Electronic, Thermodynamic and Dielectric Properties of Monolayer Ca(OH)2 and Mg(OH)2;Nanomaterials;2022-05-23
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