ℹ️
🇬🇧
Search
Search for publications relevant for "Generalized gradient approximation"
Generalized gradient approximation
Publication
Class
Person
Publication
Programmes
Export current view
publication
Improved generalized gradient approximation for positron states in solids
2014 |
Faculty of Mathematics and Physics
publication
Proposed Parameter-Free Model for Interpreting the Measured Positron Annihilation Spectra of Materials Using a Generalized Gradient Approximation
2015 |
Faculty of Mathematics and Physics
publication
Real-space imaging of anisotropic charge of sigma-hole by means of Kelvin probe force microscopy
2021 |
Faculty of Mathematics and Physics
publication
Antiferromagnetism and phase transitions in noncentrosymmetric UIrSi3
2018 |
Faculty of Mathematics and Physics
publication
Electronic structure of the solvated benzene radical anion
2022 |
Faculty of Mathematics and Physics
publication
Reducing the Cost of Neural Network Potential Generation for Reactive Molecular Systems
2023 |
Faculty of Mathematics and Physics
publication
Assessment of Newest Meta-GGA Hybrids for Late Transition Metal Reactivity: Fractional Charge and Fractional Spin Perspective
2019 |
Faculty of Mathematics and Physics
publication
Accurate Ab Initio Description of Adsorption on Coordinatively Unsaturated Cu2+ and Fe3+ Sites in MOFs
2015 |
Faculty of Science, Central Library of Charles University
publication
Properties of the divalent-Yb compound YbAu2Si2 under extreme conditions
2017 |
Faculty of Mathematics and Physics
publication
Resolution of Organic Polymorphic Crystals by Raman Spectroscopy
2013 |
Central Library of Charles University
publication
Photoelectron Spectroscopy of Benzene in the Liquid Phase and Dissolved in Liquid Ammonia
2022 |
Faculty of Mathematics and Physics
publication
Monoaurated vs. diaurated intermediates: causality or independence?
2020 |
Faculty of Science, Central Library of Charles University
publication
Developing machine-learned potentials to simultaneously capture the dynamics of excess protons and hydroxide ions in classical and path integral simulations
2023 |
Faculty of Mathematics and Physics
publication
Computer simulations of 3C-SiC under hydrostatic and non-hydrostatic stresses
2016 |
Faculty of Science
publication
Photoelectron spectra of alkali metal-ammonia microjets: From blue electrolyte to bronze metal
2020 |
Faculty of Mathematics and Physics
publication
Two-Color Infrared Predissociation Spectroscopy of C6H62+ Isomers Using Helium Tagging
2015 |
Faculty of Science
publication
Investigation of Geminally Diaurated Arene Complexes in the Gas Phase
2015 |
Faculty of Science
publication
Interaction of the Gold(I) Cation Au(PMe3)(+) with Unsaturated Hydrocarbons
2012 |
Faculty of Science
publication
Electronic Circular Dichroism of the Chiral Rigid Tricyclic Dilactam with Nonplanar Tertiary Amide Groups
2014 |
Faculty of Mathematics and Physics
publication
Role of Gold(I) alpha-Oxo Carbenes in the Oxidation Reactions of Alkynes Catalyzed by Gold(I) Complexes
2014 |
Faculty of Science
publication
The growth of zinc phthalocyanine thin films by pulsed laser deposition
2016 |
Faculty of Science
publication
Interaction of Gold Acetylides with Gold(I) or Silver(I) Cations
2013 |
Faculty of Science
publication
Gradient correction scheme for bulk and defect positron states in materials: New developments
2014 |
Faculty of Mathematics and Physics
publication
Experimental and first-principle study of LuPd2Si2 superconductor
2018 |
Faculty of Mathematics and Physics
publication
Angle-Resolved Spectroscopy of Positronium Emission from a Cu(110) Surface
2016 |
Faculty of Mathematics and Physics
publication
Spectral permittivity tensor and density functional theory calculations on the Hensler compound Co2FeAl0.5Si0.5
2021 |
Faculty of Mathematics and Physics
publication
A first principles study of Palladium-based full Heusler ferromagnetic Pd2MnSb compound
2024 |
First Faculty of Medicine, Faculty of Medicine in Pilsen
publication
The Quest for Accurate Liquid Water Properties from First Principles
2018 |
Faculty of Mathematics and Physics
publication
Effect of electron localization in theoretical design of Ni-Mn-Ga based magnetic shape memory alloys
2021 |
Faculty of Mathematics and Physics
publication
Multiscale Investigation of Oxygen Vacancies in TiO2 Anatase and Their Role in Memristor's Behavior
2016 |
Faculty of Mathematics and Physics