Search results
- 1.0585773 - ÚOCHB 2025 RIV NL eng J - Journal Article
Halámek, J. - Bulánek, R. - Rubeš, Miroslav - Bludský, Ota
Properties of multiple Lewis acid sites in alkali metal-exchanged chabazites probed by CO adsorption.
Microporous and Mesoporous Materials. Roč. 374, June (2024), č. článku 113152. ISSN 1387-1811. E-ISSN 1873-3093
R&D Projects: GA ČR(CZ) GA20-12735S
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : ab initio modeling * adsorption * lewis acid sites * alkali metal * carbon monoxide * chabazite * FT-IR * calorimetry
Impact factor: 5.2, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.micromeso.2024.113152
Permanent Link: https://hdl.handle.net/11104/0353453 - 2.0585658 - ÚFCH JH 2025 RIV US eng J - Journal Article
Zikrata, O. V. - Larina, O. V. - Balakin, Dmytro Yu. - Nychiporuk, Yu. M. - Khalakhan, I. - Svegovec, M. - Volavsek, J. - Yaremov, P. S. - Soloviev, S. O. - Orlyk, S. M.
Influence of Acid-Base Characteristics of Different Structural-Type Zeolites (FER, MFI, FAU, BEA) on Their Activity and Selectivity in Isobutanol Dehydration.
ChemCatChem. (2024). ISSN 1867-3880. E-ISSN 1867-3899
Institutional support: RVO:61388955
Keywords : temperature-programmed desorption * x-ray-diffraction * skeletal isomerization * external surface * ab-initio * catalysts * sites * water * ferrierite * conversion * zeolites * isobutanol dehydration * alkenes * structure-activity relationships * acidity.
OECD category: Physical chemistry
Impact factor: 4.5, year: 2022
Method of publishing: Limited access
https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/cctc.202400068
Permanent Link: https://hdl.handle.net/11104/0353336 - 3.0585391 - ÚFM 2025 RIV US eng J - Journal Article
Friák, Martin - Čípek, Petr - Pavlů, J. - Zobač, Ondřej - Roupcová, Pavla - Miháliková, Ivana - Holec, D. - Msallamová, Š. - Michalcová, A.
Structure-Property Relations in Pb-Supersaturated Metastable Sn-Rich Pb-Sn Alloys.
Metallurgical and Materials Transactions A. early access (2024). ISSN 1073-5623. E-ISSN 1543-1940
R&D Projects: GA ČR(CZ) GA22-05801S
Institutional support: RVO:68081723
Keywords : tin * crystal * quantum-mechanical calculations * ab initio * stability
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 2.8, year: 2022
Method of publishing: Limited access
https://link.springer.com/article/10.1007/s11661-024-07362-3
Permanent Link: https://hdl.handle.net/11104/0353114 - 4.0585130 - FZÚ 2025 RIV NL eng J - Journal Article
Medvedev, Nikita - Voronkov, R. - Volkov, A.E.
Nonthermal effects in solids after swift heavy ion impact.
Nuclear Instruments & Methods in Physics Research Section B. Roč. 547, Feb (2024), č. článku 165218. ISSN 0168-583X. E-ISSN 1872-9584
R&D Projects: GA MŠMT LTT17015; GA MŠMT(CZ) LM2023068; GA MŠMT(CZ) EF18_053/0016627
Grant - others:OP VVV - Mobility FZU 2(XE) CZ.02.2.69/0.0/0.0/18_053/0016627
Institutional support: RVO:68378271
Keywords : Swift heavy ion * nonthermal melting * nonthermal heating * Ab-initio modeling * density functional theory * tight binding method * electron-phonon coupling
OECD category: Fluids and plasma physics (including surface physics)
Impact factor: 1.3, year: 2022
Permanent Link: https://hdl.handle.net/11104/0352863 - 5.0585014 - ÚJF 2025 RIV US eng J - Journal Article
Burrows, M. - Launey, K. D. - Mercenne, A. - Baker, R. B. - Sargsyan, G. H. - Dytrych, Tomáš - Langr, D.
Ab initio translationally invariant nucleon-nucleus optical potentials.
Physical Review C. Roč. 109, č. 1 (2024), č. článku 014616. ISSN 2469-9985. E-ISSN 2469-9993
R&D Projects: GA ČR(CZ) GA22-14497S
Institutional support: RVO:61389005
Keywords : ab initio symmetry-adapted no-core shell model * Green's function * optical potentials
OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
Impact factor: 3.1, year: 2022
Method of publishing: Limited access
https://doi.org/10.1103/PhysRevC.109.014616
Permanent Link: https://hdl.handle.net/11104/0352784 - 6.0584165 - ÚFP 2024 RIV NL eng J - Journal Article
Medvedev, Nikita - Voronkov, R. - Volkov, A.E.
Nonthermal effects in solids after swift heavy ion impact.
Nuclear Instruments & Methods in Physics Research Section B. Roč. 547, February (2024), č. článku 165218. ISSN 0168-583X. E-ISSN 1872-9584
R&D Projects: GA MŠMT(CZ) LM2023068; GA MŠMT EF16_013/0001552; GA MŠMT LTT17015
Institutional support: RVO:61389021
Keywords : Ab-initio modeling * Density functional theory * Electron-phonon coupling * Nonthermal heating * Nonthermal melting * Swift heavy ion * Tight binding method
OECD category: Fluids and plasma physics (including surface physics)
Impact factor: 1.3, year: 2022
Method of publishing: Limited access
https://www.sciencedirect.com/science/article/pii/S0168583X23004597?via%3Dihub
Permanent Link: https://hdl.handle.net/11104/0352151 - 7.0583715 - BFÚ 2024 RIV US eng J - Journal Article
Gate, G. - Williams, A. - Boldissar, S. - Šponer, Jiří - Szabla, R. - de Vries, M. S.
The tautomer-specific excited state dynamics of 2,6-diaminopurine using resonance-enhanced multiphoton ionization and quantum chemical calculations.
Photochemistry and Photobiology. Roč. 2023, DEC 20 2023 (2023). ISSN 0031-8655. E-ISSN 1751-1097
R&D Projects: GA ČR(CZ) GA21-23718S
Institutional support: RVO:68081707
Keywords : ultrafast internal-conversion * nonradiative decay * ab-initio * radiationless deactivation * electronic relaxation * isolated adenine * 2-aminopurine * spectroscopy
OECD category: Biochemistry and molecular biology
Impact factor: 3.3, year: 2022
Method of publishing: Open access
https://onlinelibrary.wiley.com/doi/10.1111/php.13897
Permanent Link: https://hdl.handle.net/11104/0351709 - 8.0579696 - ÚJF 2024 RIV US eng J - Journal Article
Sargsyan, G. H. - Launey, K. D. - Shaffer, R. M. - Dudeck, N. - Mercenne, A. - Dytrych, Tomáš - Draayer, J. P.
Ab initio single-neutron spectroscopic overlaps in lithium isotopes.
Physical Review C. Roč. 108, č. 5 (2023), č. článku 054303. ISSN 2469-9985. E-ISSN 2469-9993
R&D Projects: GA ČR(CZ) GA22-14497S
Institutional support: RVO:61389005
Keywords : ab initio * shell model * neutron-nucleus asymptotic
OECD category: Nuclear physics
Impact factor: 3.1, year: 2022
Method of publishing: Limited access
https://doi.org/10.1103/PhysRevC.108.054303
Permanent Link: https://hdl.handle.net/11104/0348502 - 9.0573727 - ÚOCHB 2024 RIV NL eng J - Journal Article
Trachta, Michal - Volný, Tomáš - Bulánek, R. - Koudelková, E. - Halámek, J. - Rubeš, Miroslav - Shamzhy, M. - Mazur, M. - Čejka, J. - Bludský, Ota
Strong CO2 adsorption in narrow-pore ADOR zeolites: A combined experimental and computational study on IPC-12 and related structures.
Journal of CO2 Utilization. Roč. 74, August (2023), č. článku 102548. ISSN 2212-9820. E-ISSN 2212-9839
R&D Projects: GA ČR(CZ) GA20-12735S
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : ADOR * zeolites * adsorption * carbon dioxide * ab initio modeling * Metropolis Monte Carlo * importance sampling
OECD category: Physical chemistry
Impact factor: 7.7, year: 2022
Method of publishing: Open access
https://doi.org/10.1016/j.jcou.2023.102548
Permanent Link: https://hdl.handle.net/11104/0344115 - 10.0572292 - ÚFM 2024 RIV CH eng J - Journal Article
Papež, P. - Zelený, Martin - Friák, Martin - Dlouhý, Ivo
The effect of spin-polarization, atomic ordering and charge transfer on the stability of CoCrNi medium entropy alloy.
Materials Chemistry and Physics. Roč. 304, AUG (2023), č. článku 127783. ISSN 0254-0584. E-ISSN 1879-3312
Institutional support: RVO:68081723
Keywords : Ab initio calculations * Charge transfer * Magnetism * Medium entropy alloy * Phase stability * Short-range ordering
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 4.6, year: 2022
Method of publishing: Limited access
https://www.sciencedirect.com/science/article/pii/S0254058423004911?via%3Dihub
Permanent Link: https://hdl.handle.net/11104/0343036