| Electronic structure of oxide, peroxide, and superoxide clusters of the elements: A comparative density functional study EL Uzunova, H Mikosch, GS Nikolov The Journal of chemical physics 128 (9), 094307, 2008 | 73 | 2008 |
| Electronic Structure and Vibrational Modes of Cobalt Oxide Clusters CoOn (n = 1−4) and Their Monoanions EL Uzunova, GS Nikolov, H Mikosch The Journal of Physical Chemistry A 106 (16), 4104-4114, 2002 | 44 | 2002 |
| CO 2 conversion to methanol on Cu (I) oxide nanolayers and clusters: an electronic structure insight into the reaction mechanism EL Uzunova, N Seriani, H Mikosch Physical Chemistry Chemical Physics 17 (16), 11088-11094, 2015 | 38 | 2015 |
| Adsorption of NO on Cu-SAPO-34 and Co-SAPO-34: A periodic DFT study EL Uzunova, H Mikosch, J Hafner The Journal of Physical Chemistry C 112 (7), 2632-2639, 2008 | 36 | 2008 |
| Cation-deficient nano-dimensional particle size cobalt–manganese spinel mixed oxides DG Klissurski, EL Uzunova Applied surface science 214 (1-4), 370-374, 2003 | 31 | 2003 |
| Manganese, iron, cobalt, and nickel oxo‐, peroxo‐, and superoxoclusters: a density functional theory study EL Uzunova, GS Nikolov, H Mikosch ChemPhysChem 5 (2), 192-201, 2004 | 28 | 2004 |
| Application of hybrid functionals to the modeling of NO adsorption on Cu− SAPO-34 and Co− SAPO-34: a periodic DFT study EL Uzunova, F Göltl, G Kresse, J Hafner The Journal of Physical Chemistry C 113 (13), 5274-5291, 2009 | 26 | 2009 |
| Electronic structure of trioxide, oxoperoxide, oxosuperoxide, and ozonide clusters of the 3d elements: density functional theory study EL Uzunova The Journal of Physical Chemistry A 115 (8), 1320-1330, 2011 | 25 | 2011 |
| Cation site preference in zeolite clinoptilolite: A density functional study EL Uzunova, H Mikosch Microporous and Mesoporous Materials 177, 113-119, 2013 | 22 | 2013 |
| Interaction of molecular nitrogen and oxygen with extraframework cations in zeolites with double six-membered rings of oxygen-bridged silicon and aluminum atoms: A DFT study H Mikosch, EL Uzunova, G St. Nikolov The Journal of Physical Chemistry B 109 (22), 11119-11125, 2005 | 22 | 2005 |
| Adsorption of phosphates and phosphoric acid in zeolite clinoptilolite: electronic structure study EL Uzunova, H Mikosch Microporous and Mesoporous Materials 232, 119-125, 2016 | 20 | 2016 |
| Adsorption and activation of ethene in transition metal exchanged zeolite clinoptilolite: a density functional study EL Uzunova, H Mikosch ACS Catalysis 3 (12), 2759-2767, 2013 | 19 | 2013 |
| Density Functional Study of the Stable Oxidation States and the Binding of Oxygen in MO4 Clusters of the 3d Elements EL Uzunova The Journal of Physical Chemistry A 115 (39), 10665-10678, 2011 | 18 | 2011 |
| Theoretical study of transition metal cation exchanged zeolites: Interaction with NO EL Uzunova, H Mikosch, J Hafner Journal of Molecular Structure: THEOCHEM 912 (1-3), 88-94, 2009 | 18 | 2009 |
| Electronic structure and stability of double six-membered rings of oxygen-bridged silicon and aluminum atoms related to cation site occupancy in FAU zeolites: a DFT study EL Uzunova, H Mikosch The Journal of Physical Chemistry B 108 (22), 6981-6987, 2004 | 16 | 2004 |
| Vibrational modes of double four-member rings of oxygen-bridged silicon and aluminum atoms: a DFT study EL Uzunova, G St. Nikolov The Journal of Physical Chemistry B 104 (31), 7299-7305, 2000 | 12 | 2000 |
| Electronic structure and reactivity of cobalt oxide dimers and their hexacarbonyl complexes: A density functional study EL Uzunova, H Mikosch The Journal of Physical Chemistry A 116 (12), 3295-3303, 2012 | 11 | 2012 |
| Density functional study of copper‐exchanged zeolites and related microporous materials: Adsorption of nitrosyls EL Uzunova, H Mikosch, G St. Nikolov International Journal of Quantum Chemistry 113 (5), 723-728, 2013 | 9 | 2013 |
| DFT study of zeolite LTA structural fragments: Double four-member rings of oxygen-bridged silicon and aluminum atoms EL Uzunova, G St. Nikolov The Journal of Physical Chemistry A 104 (22), 5302-5306, 2000 | 9 | 2000 |
| Intersystem Crossings of the Triplet and Singlet States in Cobalt and Copper Mononitrosyls EL Uzunova The Journal of Physical Chemistry A 113 (42), 11266-11272, 2009 | 7 | 2009 |
