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Urban, Miroslav
264
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Online (263)
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Articles (Online) (152)
Bookchapter (Online) (8)
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1
Excited states of aurocarbons: CASPT2 and CCSD(T) calculati..:
Vrška, Dávid
;
Neogrády, Pavel
;
Kellö, Vladimir
..
International Journal of Quantum Chemistry. 123 (2023) 24 - p. , 2023
Link:
https://doi.org/10.1002/..
?
2
Laudatio for Ivan Černušák:
Louis, Florent
;
Urban, Miroslav
;
Boldyrev, Alexander
International Journal of Quantum Chemistry. 123 (2023) 24 - p. , 2023
Link:
https://doi.org/10.1002/..
?
3
DFT Functionals for Modeling of Polyethylene Chains Cross-L..:
Blaško, Martin
;
Pašteka, Lukáš F.
;
Urban, Miroslav
The Journal of Physical Chemistry A. 125 (2021) 34 - p. 7382-7395 , 2021
Link:
https://doi.org/10.1021/..
?
4
Correction to "DFT Modeling of Cross-Linked Polyethylene: R..:
Blaško, Martin
;
Mach, Pavel
;
Antušek, Andrej
.
The Journal of Physical Chemistry A. 122 (2018) 18 - p. 4591-4592 , 2018
Link:
https://doi.org/10.1021/..
?
5
DFT Modeling of Cross-Linked Polyethylene: Role of Gold Ato..:
Blaško, Martin
;
Mach, Pavel
;
Antušek, Andrej
.
The Journal of Physical Chemistry A. 122 (2018) 5 - p. 1496-1503 , 2018
Link:
https://doi.org/10.1021/..
?
6
Benchmark CCSD(T) and DFT study of binding energies in Be7 ..:
Labanc, Daniel
;
Šulka, Martin
;
Pitoňák, Michal
...
Molecular Physics. 116 (2018) 10 - p. 1259-1274 , 2018
Link:
https://doi.org/10.1080/..
?
7
A comparative DFT study of interactions of Au and small gol..:
Blaško, Martin
;
Rajský, Tomáš
;
Urban, Miroslav
Chemical Physics Letters. 671 (2017) - p. 84-91 , 2017
Link:
https://doi.org/10.1016/..
?
8
Density functional theory modeling of C–Au chemical bond fo..:
Antušek, Andrej
;
Blaško, Martin
;
Urban, Miroslav
...
Physical Chemistry Chemical Physics. 19 (2017) 42 - p. 28897-28906 , 2017
Link:
https://doi.org/10.1039/..
?
9
Aun (n = 1,11) Clusters Interacting With Lone-Pair Ligands:
Rajský, Tomáš
;
Urban, Miroslav
The Journal of Physical Chemistry A. 120 (2016) 22 - p. 3938-3949 , 2016
Link:
https://doi.org/10.1021/..
?
10
Role of relativity in energy pattern of low-lying terms of ..:
Demovič, Lukáš
;
Kellö, Vladimir
;
Urban, Miroslav
Computational and Theoretical Chemistry. 1084 (2016) - p. 157-161 , 2016
Link:
https://doi.org/10.1016/..
?
11
Relativistic calculations of low-lying electronic states of..:
Demovič, Lukáš
;
Kellö, Vladimir
;
Urban, Miroslav
Journal of Physics B: Atomic, Molecular and Optical Physics. 47 (2013) 2 - p. 025001 , 2013
Link:
https://doi.org/10.1088/..
?
12
Ab initio study of many-body decomposition of the interacti..:
Šulka, Martin
;
Pitoňák, Michal
;
Černušák, Ivan
..
Chemical Physics Letters. 573 (2013) - p. 8-14 , 2013
Link:
https://doi.org/10.1016/..
?
13
Toward Understanding the Bonding Character in Complexes of ..:
Pašteka, Lukáš F.
;
Rajský, Tomáš
;
Urban, Miroslav
The Journal of Physical Chemistry A. 117 (2013) 21 - p. 4472-4485 , 2013
Link:
https://doi.org/10.1021/..
?
14
Electron Affinities of Uracil: Microsolvation Effects and P..:
Melicherčík, Miroslav
;
Pašteka, Lukáš F.
;
Neogrády, Pavel
.
The Journal of Physical Chemistry A. 116 (2012) 9 - p. 2343-2351 , 2012
Link:
https://doi.org/10.1021/..
?
15
CASPT2 and CCSD(T) calculations of dipole moments and polar..:
Pašteka, Lukáš F.
;
Melicherčík, Miroslav
;
Neogrády, Pavel
.
Molecular Physics. 110 (2012) 18 - p. 2219-2237 , 2012
Link:
https://doi.org/10.1080/..
1-15