A combined molecular dynamics+quantum mechanics method for investigation of dynamic effects on local surface structures
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1635802
Reference39 articles.
1. QUANTUM CHEMISTRY OF OXIDE SURFACES: FROM CO CHEMISORPTION TO THE IDENTIFICATION OF THE STRUCTURE AND NATURE OF POINT DEFECTS ON MgO
2. Comparing ab initio computed energetics with thermal experiments in surface science: CO/MgO(001)
3. Reductive Activation of the Nitrogen Molecule at the Surface of “Electron-Rich” MgO and CaO. The N2- Surface Adsorbed Radical Ion
4. Activation of hydrogen at 78.deg.K on paramagnetic centers of magnesium oxide
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