Binding Energy of the Ground State of Beryllium-Like Molybdenum: Correlation and Quantum-Electrodynamic Effects Read more about Binding Energy of the Ground State of Beryllium-Like Molybdenum: Correlation and Quantum-Electrodynamic Effects
Ab initio Calculations of Energy Levels in Be-Like Xenon: Strong Interference between Electron-Correlation and QED Effects Read more about Ab initio Calculations of Energy Levels in Be-Like Xenon: Strong Interference between Electron-Correlation and QED Effects
Multidentate Interaction of Methylamine with Rutile TiO2 (110) Read more about Multidentate Interaction of Methylamine with Rutile TiO2 (110)
Charge-Transfer Promoted Fixation of Glyphosate on TiO2 - a Multiscale Approach Read more about Charge-Transfer Promoted Fixation of Glyphosate on TiO2 - a Multiscale Approach
Quantum Chemical Investigation of Photocatalytical Sulfoxidation of Hydrocarbons on TiO2 Read more about Quantum Chemical Investigation of Photocatalytical Sulfoxidation of Hydrocarbons on TiO2
Studying phase transitions of alanine-polypeptides in water using molecular dynamics Read more about Studying phase transitions of alanine-polypeptides in water using molecular dynamics
Development of an Improved and Automated Hybrid Docking Method for Computationally Aided Drug Design Read more about Development of an Improved and Automated Hybrid Docking Method for Computationally Aided Drug Design
Martini 3 Coarse-Grained Force Field: Small Molecules Read more about Martini 3 Coarse-Grained Force Field: Small Molecules
Martini 3: a general purpose force field for coarse-grained molecular dynamics Read more about Martini 3: a general purpose force field for coarse-grained molecular dynamics
Irradiation driven molecular dynamics with reactive CHARMM force field Read more about Irradiation driven molecular dynamics with reactive CHARMM force field
