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Urban, Miroslav
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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