Dosiaľ sme publikovali k uvedenej téme nasledovné súvisiace články:
1: Microhydration of caesium compounds: Cs, CsOH, CsI and Cs2I2 complexes with one to three H2O molecules of nuclear safety interest
Author(s): Sudolska, M (Sudolska, Maria); Cantrel, L (Cantrel, Laurent); Cernusak, I (Cernusak, Ivan)
Source: JOURNAL OF MOLECULAR MODELING Volume: 20 Issue: 4 Article Number: 2218 DOI: 10.1007/s00894-014-2218-4 Published: APR 2014
2: Molecular structures and thermodynamic properties of monohydrated gaseous iodine compounds: Modelling for severe accident simulation
Author(s): Sudolska, M (Sudolska, Maria); Cantrel, L (Cantrel, Laurent); Budzak, S (Budzak, Simon); Cernusak, I (Cernusak, Ivan)
Source: JOURNAL OF NUCLEAR MATERIALS Volume: 446 Issue: 1-3 Pages: 73-80 DOI: 10.1016/j.jnucmat.2013.11.029 Published: MAR 2014
3: Thermochemistry of small iodine species
Author(s): Sulkova, K (Sulkova, K.); Federic, J (Federic, J.); Louis, F (Louis, F.); Cantrel, L (Cantrel, L.); Demovic, L (Demovic, L.); Cernusak, I (Cernusak, I.)
Source: PHYSICA SCRIPTA Volume: 88 Issue: 5 Article Number: 058304 DOI: 10.1088/0031-8949/88/05/058304 Published: NOV 2013
4: Ab initio study of many-body decomposition of the interaction energy in small beryllium clusters Be3-6
Author(s): Sulka, M (Sulka, Martin); Pitonak, M (Pitonak, Michal); Cernusak, I (Cernusak, Ivan); Urban, M (Urban, Miroslav); Neogrady, P (Neogrady, Pavel)
Source: CHEMICAL PHYSICS LETTERS Volume: 573 Pages: 8-14 DOI: 10.1016/j.cplett.2013.04.008 Published: JUN 6 2013
5: Ab initio study of the stability of beryllium clusters: accurate calculations for Be2-6
Author(s): Sulka, M (Sulka, Martin); Labanc, D (Labanc, Daniel); Kovac, M (Kovac, Martin); Pitonak, M (Pitonak, Michal); Cernusak, I (Cernusak, Ivan); Neogrady, P (Neogrady, Pavel)
Source: JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS Volume: 45 Issue: 8 Article Number: 085102 DOI: 10.1088/0953-4075/45/8/085102 Published: APR 28 2012
6: The Kinetics of the Reaction C2H5 center dot + HI -> C2H6 + I-center dot over an Extended Temperature Range (213-623 K): Experiment and Modeling
By: Leplat, Nicholas; Federic, Jozef; Sulkova, Katarina; et al.
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS Volume: 229 Issue: 10-12 Special Issue: SI Pages: 1475-1501 Published: 2015
7: Reactivity of CHI3 with OH Radicals: X-Abstraction Reaction Pathways (X = H, I), Atmospheric Chemistry, and Nuclear Safety
By: Sudolska, Maria; Louis, Florent; Cernusak, Ivan
JOURNAL OF PHYSICAL CHEMISTRY A Volume: 118 Issue: 40 Pages: 9512-9520 Published: OCT 9 2014
A príspevky v zahraničných konferenciách:
1: Calculations of cesium doped molybdenum materials for nuclear fusion applications
By Michal Novotny and Ivan Cernusak
4th Conference on Theory and Applications of Computational Chemistry 2016, Seattle
Caesium hydride: MS-CASPT2 potential energy curves and absorption emission spectroscopy
By: Ján Škoviera, Pavel Neogrády, Florent Louis, Michal Pitoňák, and Ivan Černušák
The Journal of Chemical Physics 146, 104304 (2017); doi: 10.1063/1.4978065
On the work function of the surface Mo(0 0 1) and its temperature dependence: an ab initio molecular dynamics study
By: Tomáš Bučko, Michal Novotný and Ivan Černušák
J. Phys.: Condens. Matter 30 (2018) 505001 (8pp),
https://doi.org/10.1088/1361-648X/aaeb76
Benchmark CCSD(T) and DFT study of binding energies in Be7−12: in search of reliable DFT functional for beryllium clusters
By: Daniel Labanc, Martin Šulka, Michal Pitoňák, Ivan Černušák, Miroslav Urban and Pavel Neogrády
MOLECULAR PHYSICS, 2018 VOL. 116, NO. 10, 1259-1274.
Ab initio molecular dynamics investigation of Cs adsorption on Mo(0 0 1): Beyond a single monolayer coverage
By: Halima Said, Michal Novotný, Ivan Cernusak, Tomas Bucko
Applied Surface Science, 2021, vol 559, art. number149822.
Theoretical Study of the Monohydration of Mercury Compounds of Atmospheric Interest
By: Sonia Taamalli, Michal Pitoňák, Theodore S. Dibble, Ivan Černušák, and Florent Louis
J. Phys. Chem. A 2021, 125, 5819−5828.
Relativistic calculations of AuSi+ and AuSi−
By: Maria Barysz, Ivan Černušák, Vladimir Kellö
Int J Quantum Chem. 2019; vol. 119, art. number e25951.