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Kellö, Vladimir
283
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Online (283)
Mediatypes
E-Books (1)
Articles (Online) (76)
Bookchapter (Online) (1)
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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
Together, Not Separately, OH and O3 Oxidize Hg(0) to Hg(II)..:
Castro, Pedro J.
;
Kellö, Vladimir
;
Cernušák, Ivan
.
The Journal of Physical Chemistry A. 126 (2022) 44 - p. 8266-8279 , 2022
Link:
https://doi.org/10.1021/..
?
3
Improved Mechanistic Model of the Atmospheric Redox Chemist..:
Shah, Viral
;
Jacob, Daniel J.
;
Thackray, Colin P.
...
Environmental Science & Technology. 55 (2021) 21 - p. 14445-14456 , 2021
Link:
https://doi.org/10.1021/..
?
4
AuSi molecule revisited: IOTC/CASSCF/CASPT2 calculations:
Barysz, Maria
;
Černušák, Ivan
;
Kellö, Vladimir
.
International Journal of Quantum Chemistry. 121 (2020) 5 - p. , 2020
Link:
https://doi.org/10.1002/..
?
5
Relativistic calculations of AuSi+ and AuSi−:
Barysz, Maria
;
Černušák, Ivan
;
Kellö, Vladimir
International Journal of Quantum Chemistry. 119 (2019) 16 - p. , 2019
Link:
https://doi.org/10.1002/..
?
6
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/..
?
7
Off-Center Gaussian Functions, an Alternative Atomic Orbita..:
Melicherčík, Miroslav
;
Pitoňák, Michal
;
Kellö, Vladimír
..
Journal of Chemical Theory and Computation. 9 (2013) 12 - p. 5296-5304 , 2013
Link:
https://doi.org/10.1021/..
?
8
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/..
?
9
Ab initio calculations of molecular properties of low–lying..:
Fišanová, Jana
;
Černušák, Ivan
;
Kellö, Vladimír
Journal of Molecular Modeling. 18 (2012) 10 - p. 4751-4759 , 2012
Link:
https://doi.org/10.1007/..
?
10
Relativistic effects in low-lying electronic states of iron:
Demovič, Lukáš
;
Kellö, Vladimir
;
Urban, Miroslav
Theoretical Chemistry Accounts. 129 (2011) 3-5 - p. 561-566 , 2011
Link:
https://doi.org/10.1007/..
?
11
The quadrupole moment of the As nucleus from molecular micr..:
Demovič, Lukáš
;
Kellö, Vladimir
;
Sadlej, Andrzej J.
Chemical Physics Letters. 498 (2010) 1-3 - p. 10-13 , 2010
Link:
https://doi.org/10.1016/..
?
12
Linear and nonlinear optical properties of a series of Ni-d..:
Serrano-Andrés, Luis
;
Avramopoulos, Aggelos
;
Li, Jiabo
...
The Journal of Chemical Physics. 131 (2009) 13 - p. , 2009
Link:
https://doi.org/10.1063/..
?
13
Theoretical study of molecular properties of low-lying elec..:
Páleníková, Jana
;
Kraus, Michal
;
Neogrády, Pavel
..
Molecular Physics. 106 (2008) 20 - p. 2333-2344 , 2008
Link:
https://doi.org/10.1080/..
?
14
The quadrupole moment of the Sb nucleus from molecular micr..:
Demovič, Lukáš
;
Kellö, Vladimir
;
Sadlej, Andrzej J.
.
The Journal of Chemical Physics. 124 (2006) 18 - p. , 2006
Link:
https://doi.org/10.1063/..
?
15
Optimized virtual orbitals for relativistic calculations: a..:
Pito[nbreve]ák, Michal
;
Neogrády, Pavel
;
Kellö, VladimÍr
.
Molecular Physics. 104 (2006) 13-14 - p. 2277-2292 , 2006
Link:
https://doi.org/10.1080/..
1-15