Classes
Publications
- The potential of dispersion-corrected density functional theory calculations for distinguishing between salts and cocrystals2022 | Faculty of Mathematics and Physics
- Assessment of random phase approximation with different exchange-correlation functionals for description of binding energies of molecular solids2023 | Faculty of Mathematics and Physics
- Assessment of random phase approximation and second-order Moller-Plesset perturbation theory for many-body interactions in solid ethane, ethylene, and acetylene2023 | Faculty of Mathematics and Physics
- Understanding the wetting of transition metal dichalcogenides from an ab initio perspective2023 | Faculty of Mathematics and Physics
- Using Noncovalent Interactions to Test the Precision of Projector-Augmented Wave Data Sets2023 | Faculty of Mathematics and Physics
- Magnetically Induced Binary Ferrocene with Oxidized Iron2023 | Faculty of Mathematics and Physics
- NMR Crystallography of Monovalent Cations in Inorganic Matrices: Na+ Siting and the Local Structure of Na+ Sites in Ferrierites2022 | Faculty of Mathematics and Physics
- Reaching high precision of binding energies in molecular solids using quantum chemistry methods2021 | Faculty of Mathematics and Physics
- Random-Phase Approximation in Many-Body Noncovalent Systems: Methane in a Dodecahedral Water Cage2021 | Faculty of Mathematics and Physics
- Insights on hydrogen bond assisted solvent selection in certain acid-base heterogeneous catalysis through acceptor and donor numbers2021 | Faculty of Mathematics and Physics
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