- Towards Calculation of Accurate Adsorption Energies2019 | Matematicko-fyzikální fakulta
- Towards Accurate Calculations of Adsorption Energies2018 | Matematicko-fyzikální fakulta
- Sr(II) and Ba(II) Alkaline Earth Metal-Organic Frameworks (AE-MOFs) for Selective Gas Adsorption, Energy Storage, and Environmental Application2023 | Přírodovědecká fakulta
- Understanding the wetting of transition metal dichalcogenides from an ab initio perspective2023 | Matematicko-fyzikální fakulta
- Activity Trends for the Selective Oxidation of 2-Propanol to Acetone on Noble Metal Electrodes in Alkaline Electrolyte2023 | Matematicko-fyzikální fakulta
- Palladium clusters on graphene support: An ab initio study2016 | Přírodovědecká fakulta, Ústřední knihovna
- Efficient and accurate description of adsorption in zeolites2019 | Matematicko-fyzikální fakulta
- An experimental and theoretical study of adenine adsorption on Au(111)2018 | Matematicko-fyzikální fakulta
- A DFT Structural Investigation of New Bimetallic PtSnx Surface Alloys Formed on the Pt(110) Surface and Their Interaction with Carbon Monoxide2016 | Matematicko-fyzikální fakulta
- Monolayer PC3: A promising material for environmentally toxic nitrogen-containing multi gases2022 | Přírodovědecká fakulta
- Exploring the stability and reactivity of Ni2P and Mo2C catalysts using ab initio atomistic thermodynamics and conceptual DFT approaches2017 | Přírodovědecká fakulta
- Theoretical and experimental study of ethanol adsorption and dissociation on beta-Mo2C surfaces2017 | Matematicko-fyzikální fakulta
- An experimental and computational study on isomerically pure, soluble azaphthalocyanines and their complexes and boron azasubphthalocyanines of a varying number of aza units2018 | Farmaceutická fakulta v Hradci Králové
- Water Adsorption and Dissociation at Metal-Supported Ceria Thin Films: Thickness and Interface-Proximity Effects Studied with DFT plus U Calculations2015 | Matematicko-fyzikální fakulta
- A Computational Characterization of 2,2'-bis(trifluoromethyl)-[1,1'-biphenyl]-4,4'-diamine Iodine Dopant for Improving Power-Conversion Efficiency of Perovskite Solar Cells2022 | Přírodovědecká fakulta
- Charge-regulated CO2 capture capacity of metal atom embedded graphyne: A first-principles study2020 | Přírodovědecká fakulta
- Adsorption of PTCDA on Ge(001)2017 | Matematicko-fyzikální fakulta
- Adsorption behaviour on silver nanocolloids at various concentrations of a bioactive therapeutic derivative of methylhydrazine: Experimental, DFT and molecular docking investigations2023 | Farmaceutická fakulta v Hradci Králové
- Atomically Dispersed Pd, Ni, and Pt Species in Ceria-Based Catalysts: Principal Differences in Stability and Reactivity2016 | Matematicko-fyzikální fakulta
- Altering CO binding on gold cluster cations by Pd-doping2019 | Přírodovědecká fakulta
- Interface Engineering between the Metal-Organic Framework Nanocrystal and Graphene toward Ultrahigh Potassium-Ion Storage Performance2020 | Přírodovědecká fakulta
- Strong CO2 adsorption in narrow-pore ADOR zeolites: A combined experimental and computational study on IPC-12 and related structures2023 | Přírodovědecká fakulta, Ústřední knihovna
- Adsorption of Propane and Propylene on CuBTC Metal-Organic Framework: Combined Theoretical and Experimental Investigation2013 | Přírodovědecká fakulta, Ústřední knihovna
- Adsorption of CO2 in FAU zeolites: Effect of zeolite composition2014 | Přírodovědecká fakulta, Ústřední knihovna
- Reactivity of internal vs. external Bronsted acid sites in nanosponge MFI: H/D exchange kinetic study2022 | Přírodovědecká fakulta, Ústřední knihovna