Modeling the effect of ion-induced shock waves and DNA breakage with the reactive CHARMM force field Read more about Modeling the effect of ion-induced shock waves and DNA breakage with the reactive CHARMM force field
Multiscale simulation of the focused electron beam induced deposition process Read more about Multiscale simulation of the focused electron beam induced deposition process
Photodesorption mechanism of water on WO3(001) - a combined embedded cluster, computational intelligence and wave packet approach Read more about Photodesorption mechanism of water on WO3(001) - a combined embedded cluster, computational intelligence and wave packet approach
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
Martini 3 Coarse-Grained Force Field: Small Molecules Read more about Martini 3 Coarse-Grained Force Field: Small Molecules
