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density functional theory
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RNDr. Ota Bludský CSc.
External academic staff at Faculty of Science
1 class
26 publications
Class
class
Matlab Programming
MC260P89 |
Faculty of Science
Publications
publication
Direct hydrodeoxygenation of phenol over carbon-supported Ru catalysts: A computational study
2016 |
Faculty of Science, Central Library of Charles University
publication
The surface stability and equilibrium crystal morphology of Ni2P nanoparticles and nanowires from an ab initio atomistic thermodynamic approach
2016 |
Faculty of Science
publication
Theoretical investigation of layered zeolite frameworks: Interaction between IPC-1P layers derived from zeolite UTL
2013 |
Faculty of Science, Central Library of Charles University
publication
Accurate Description of Argon and Water Adsorption on Surfaces of Graphene-Based Carbon Allotropes
2011 |
Faculty of Science, Central Library of Charles University
publication
Experimental and theoretical determination of adsorption heats of CO2 over alkali metal exchanged ferrierites with different Si/Al ratio
2010 |
Faculty of Science, Central Library of Charles University
publication
Water Adsorption on Coordinatively Unsaturated Sites in CuBTC MOF
2010 |
Faculty of Science, Central Library of Charles University
publication
Strong CO2 adsorption in narrow-pore ADOR zeolites: A combined experimental and computational study on IPC-12 and related structures
2023 |
Faculty of Science, Central Library of Charles University
publication
Reactivity of internal vs. external Bronsted acid sites in nanosponge MFI: H/D exchange kinetic study
2022