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Generalized gradient approximation
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Ángel Morales García Dr., Ph.D.
External person at Faculty of Science
18 publications
Publications
publication
Computer simulations of 3C-SiC under hydrostatic and non-hydrostatic stresses
2016 |
Faculty of Science
publication
Flexibilization of Biorefineries: Tuning Lignin Hydrogenation by Hydrogen Partial Pressure
2021 |
Faculty of Science
publication
Pressure-induced chemistry for the 2D to 3D transformation of zeolites
2018 |
Faculty of Science
publication
Fine tuning of optical transition energy of twisted bilayer graphene via interlayer distance modulation
2017 |
Faculty of Science, Central Library of Charles University
publication
Tuning the electronic properties of monolayer and bilayer transition metal dichalcogenide compounds under direct out-of-plane compression
2017 |
Faculty of Science, Central Library of Charles University
publication
Surfaces and morphologies of covellite (CuS) nanoparticles by means of ab initio atomistic thermodynamics
2017 |
Faculty of Science
publication
The Influence of Water on the Performance of Molybdenum Carbide Catalysts in Hydrodeoxygenation Reactions: A Combined Theoretical and Experimental Study
2017 |
Faculty of Science
publication
Two-dimensional crystal CuS-electronic and structural properties
2017 |
Faculty of Science
publication
Exploring the stability and reactivity of Ni2P and Mo2C catalysts using ab initio atomistic thermodynamics and conceptual DFT approaches
2017 |
Faculty of Science
publication
The surface stability and equilibrium crystal morphology of Ni2P nanoparticles and nanowires from an ab initio atomistic thermodynamic approach
2016 |
Faculty of Science
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