Name and surname:
|
Mgr. Dávid Vrška, PhD.
|
Document type:
|
Research/art/teacher profile of a person
|
The name of the university:
|
Comenius University Bratislava
|
The seat of the university:
|
Šafárikovo námestie 6, 818 06 Bratislava
|
III.a - Occupation-position | III.b - Institution | III.c - Duration |
---|---|---|
Lecturer | Faculty of Natural Sciences, Comenius University in Bratislava | 2024-2029 |
DFT Modeling of Polyethylene Chains Cross-linked by Selected ns1 and ns2 Metal Atoms
DOI: 10.1021/acs.jpca.4c04755
Thermodynamics of the gas-phase dimerization of formic acid: Fully anharmonic finite temperature calculations at the CCSD(T) and many DFT levels
DOI: 10.1063/5.0205448
Excited states of aurocarbons: CASPT2 and CCSD(T) calculations of C2Au2 and C2Au4
DOI: 10.1002/qua.27122
DFT Modeling of Polyethylene Chains Cross-linked by Selected ns1 and ns2 Metal Atoms
DOI: 10.1021/acs.jpca.4c04755
Thermodynamics of the gas-phase dimerization of formic acid: Fully anharmonic finite temperature calculations at the CCSD(T) and many DFT levels
DOI: 10.1063/5.0205448
Excited states of aurocarbons: CASPT2 and CCSD(T) calculations of C2Au2 and C2Au4
DOI: 10.1002/qua.27122
A quantitative relationship between electron localization function and the strength of physical binding
DOI: 10.1088/1361-648X/adcc70
How does multi-reference computation change the catalysis chemistry? DFT and CASPT2 studies of the Cu-catalysed coupling reactions between aryl iodides and β-diketones
DOI: 10.1039/d3cp03418f
Towards reliable finite temperature ab initio calculations of molecules and materials
The role of configurational variability in describing interactions between molecules and condensed systems
VIII.a - Name of the institution | VIII.b - Address of the institution | VIII.c - Duration (indicate the duration of stay) | VIII.d - Mobility scheme, employment contract, other (describe) |
---|---|---|---|
Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences | Flemingovo náměstí, 542/2 160 00 Praha 6, Czech Republic | 1. 1. 2025 31. 12. 2025 | postdoc |