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Kellö, Vladimir
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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

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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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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/..
 
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