| A computational study of hydrogen detection by borophene M Novotný, FJ Domínguez-Gutiérrez, P Krstić Journal of Materials Chemistry C 5 (22), 5426-5433, 2017 | 21 | 2017 |
| Ab initio molecular dynamics investigation of Cs adsorption on Mo (0 0 1): Beyond a single monolayer coverage H Said, M Novotný, I Černuąák, T Bučko Applied Surface Science 559, 149822, 2021 | 5 | 2021 |
| Ni Oxidation State and Ligand Saturation Impact on the Capability of Octaazamacrocyclic Complexes to Bind and Reduce CO2 B Vénosová, I Jelemenská, J Koľíąek, P Rapta, M Zalibera, M Novotný, ... Molecules 26 (14), 4139, 2021 | 3 | 2021 |
| Lattice dynamics in the conformational environment of multilayered hexagonal boron nitride (h-BN) results in peculiar infrared optical responses L Cigarini, M Novotný, F Karlický Physical Chemistry Chemical Physics 23 (12), 7247-7260, 2021 | 3 | 2021 |
| On the work function of the surface Mo (0 0 1) and its temperature dependence: an ab initio molecular dynamics study T Bučko, M Novotný, I Černuąák Journal of Physics: Condensed Matter 30 (50), 505001, 2018 | 3 | 2018 |
| Toward accurate modeling of structure and energetics of bulk hexagonal boron nitride M Novotný, M Dubecký, F Karlický Journal of Computational Chemistry 45 (2), 115-121, 2024 | | 2024 |
| MP2. 5 method in atmospheric reactivity? S Suliman, I Cernusak, M Novotný, F Louis Central European Symposium on Theoretical Chemistry, 2017 | | 2017 |
| On the applicability of MP2. 5 method in atmospheric chemistry S Suliman, M Novotný, F Louis, I Cernusak XLIII Congress of Theoretical Chemists of Latin Expression (CHITEL), 2017 | | 2017 |
| Hydrogen detection by a boron sheet: A theoretical study. FJ Dominguez, M Novotny, PS Krstic APS March Meeting Abstracts 2017, G1. 112, 2017 | | 2017 |
| W2, W4, WH, WH2: Ab initio and DFT benchmarks M Novotný, J ©koviera, I Cernusak, T Oda, F Louis Central European Symposium on Theoretical Chemistry, 2015 | | 2015 |
| Ab initio and DFT benchmarks of tungsten nanoclusters and tungsten hydrides M Novotný, J ©koviera, I Cernusak, T Oda, F Louis International workshop on Models and Data for Plasma-Material Interaction in …, 2015 | | 2015 |
| Understanding the lattice dynamics of multilayered h-BN: peculiar infrared optical responses L Cigarini, M Novotný, F Karlický | | |
| Many-body decomposition of the interaction energy in small beryllium clusters Be 3-8 (12) M ©ulka, M Pitoňák, I Černuąák, M Novotný, M Urban, P Neogrády | | |
| DFT method FJ Dominguez, M Novotny, PS Krstic | | |
Ivan CernusakE-mail megerősítve itt: uniba.sk
