Search results

  1. 1.
    0586724 - ÚFCH JH 2025 RIV US eng J - Journal Article
    Mráziková, Klaudia - Knížek, Antonín - Saeidfirozeh, Homa - Petera, Lukáš - Civiš, Svatopluk - Saija, F. - Cassone, G. - Rimmer, P. B. - Ferus, Martin
    A Novel Abiotic Pathway for Phosphine Synthesis over Acidic Dust in Venus' Atmosphere.
    Astrobiology. Roč. 24, č. 4 (2024), s. 407-422. ISSN 1531-1074. E-ISSN 1557-8070
    R&D Projects: GA ČR(CZ) GA21-11366S; GA MŠMT EF16_019/0000778
    Institutional support: RVO:61388955
    Keywords : Phosphine * Venus * Photochemistry * Density functional theory * Quantum mechanical calculations
    OECD category: Physical chemistry
    Impact factor: 4.2, year: 2022
    Method of publishing: Limited access
    https://www.liebertpub.com/doi/10.1089/ast.2023.0046
    Permanent Link: https://hdl.handle.net/11104/0354162
     
     
  2. 2.
    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
     
     
  3. 3.
    0584960 - ÚFM 2025 RIV DE eng J - Journal Article
    Friák, Martin - Schneeweiss, Oldřich - Kamarád, Jiří - Kaštil, Jiří - Miroshkina, O. N. - Gruner, M.E.
    Impact of swaps on Mössbauer characteristics of Ni2MnSn: an experimental and quantum-mechanical study.
    Journal of Materials Science. Roč. 59, č. 13 (2024), s. 5595-5606. ISSN 0022-2461. E-ISSN 1573-4803
    R&D Projects: GA ČR(CZ) GA20-16130S
    Institutional support: RVO:68081723 ; RVO:68378271
    Keywords : Moessbauer * defects * Ni2MnSn * swaps * quantum-mechanical * phonons
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.); Condensed matter physics (including formerly solid state physics, supercond.) (FZU-D)
    Impact factor: 4.5, year: 2022
    Method of publishing: Limited access
    Permanent Link: https://hdl.handle.net/11104/0352756
     
     
  4. 4.
    0575202 - FZÚ 2024 RIV GB eng J - Journal Article
    Kaštil, Jiří - Kamarád, Jiří - Friák, Martin - Míšek, Martin - Dutta, Utpal - Král, Petr - Kaman, Ondřej - Arnold, Zdeněk
    Cluster spin glass in off-stoichiometric Ni2.01Mn1.58Sn0.41 alloy.
    Intermetallics. Roč. 161, Oct (2023), č. článku 107995. ISSN 0966-9795. E-ISSN 1879-0216
    R&D Projects: GA ČR(CZ) GA20-16130S; GA MŠMT(CZ) EF16_019/0000760; GA MŠMT LM2023065
    Grant - others:OP VVV - SOLID21(XE) CZ.02.1.01/0.0/0.0/16_019/0000760
    Research Infrastructure: e-INFRA CZ - 90140
    Institutional support: RVO:68378271 ; RVO:68081723
    Keywords : spin-glass * magnetic AC susceptibility * electrical resistivity * Heusler alloy * quantum-mechanical calculation
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.); Condensed matter physics (including formerly solid state physics, supercond.) (UFM-A)
    Impact factor: 4.4, year: 2022
    Method of publishing: Limited access
    https://doi.org/10.1016/j.intermet.2023.107995
    Permanent Link: https://hdl.handle.net/11104/0345041
     
     
  5. 5.
    0568443 - ÚOCHB 2024 RIV US eng J - Journal Article
    Řezáč, Jan - Stewart, J. J. P.
    How well do semiempirical QM methods describe the structure of proteins?
    Journal of Chemical Physics. Roč. 158, č. 4 (2023), č. článku 044118. ISSN 0021-9606. E-ISSN 1089-7690
    R&D Projects: GA ČR(CZ) GA22-17063S
    Institutional support: RVO:61388963
    Keywords : quantum-mechanical methods * scoring function * NDDO approximations
    OECD category: Physical chemistry
    Impact factor: 4.4, year: 2022
    Method of publishing: Limited access
    https://doi.org/10.1063/5.0135091
    Permanent Link: https://hdl.handle.net/11104/0339758
     
     
  6. 6.
    0568275 - ÚPT 2023 PL eng A - Abstract
    Slodička, L. - Podhora, L. - Lachman, L. - Kovalenko, A. - Lešundák, Adam - Pham, Minh Tuan - Čížek, Martin - Číp, Ondřej - Filip, R.
    Quantum non-Gaussianity of multi-phonon states of trapped ions.
    Book of Abstracts. 22nd Polish-Slovak-Czech Optical Conference on Wave and Quantum Aspects of Contemporary Optics, September 5-9, 2022, Wojanów, Poland. Wrocław: Wroclaw University of Science and Technology, 2022 - (Sztylińska, K.). s. 51
    [Polish-Slovak-Czech Optical Conference on Wave and Quantum Aspects of Contemporary Optics /22./. 05.09.2022-09.09.2022, Wojanów]
    Institutional support: RVO:68081731
    Keywords : trapped ions * Paul trap * quantum mechanical motion * quantum non-Gaussianity
    OECD category: Optics (including laser optics and quantum optics)
    https://psc2022.pwr.edu.pl/docs/pscoc2022_book_of_abstracts.pdf
    Permanent Link: https://hdl.handle.net/11104/0339603
     
     
  7. 7.
    0564762 - FZÚ 2023 RIV NL eng J - Journal Article
    Razmara, Z. - Delarami, H.S. - Eigner, Václav - Dušek, Michal
    Single crystal structure feature and quantum mechanical studies of a new binuclear Bi (III) complex and its activity against Helicobacter pylori.
    Inorganic Chemistry Communications. Roč. 146, Dec. (2022), č. článku 110207. ISSN 1387-7003. E-ISSN 1879-0259
    R&D Projects: GA MŠMT LM2018110; GA ČR(CZ) GA18-10504S
    Institutional support: RVO:68378271
    Keywords : Di-nuclear Bi (III) complex * single-crystal X-ray diffraction * Hirshfeld surface * quantum mechanical * Helicobacter pylori
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
    Impact factor: 3.8, year: 2022
    Method of publishing: Limited access
    https://doi.org/10.1016/j.inoche.2022.110207
    Permanent Link: https://hdl.handle.net/11104/0336359
     
     
  8. 8.
    0561584 - ÚFM 2023 RIV NL eng J - Journal Article
    Friák, Martin - Masničák, Nikilas - Schneeweiss, Oldřich - Roupcová, Pavla - Michalcová, A. - Msallamová, Š. - Šob, Mojmír
    Multi-methodological study of temperature trends in Mössbauer effect in Sn.
    Computational Materials Science. Roč. 215, DEC (2022), č. článku 111780. ISSN 0927-0256. E-ISSN 1879-0801
    R&D Projects: GA ČR(CZ) GA22-05801S
    Institutional support: RVO:68081723
    Keywords : Mössbauer effect * Phonons * Tin * Quantum-mechanical
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
    Impact factor: 3.3, year: 2022
    Method of publishing: Limited access
    https://www.sciencedirect.com/science/article/pii/S0927025622004918?via%3Dihub
    Permanent Link: https://hdl.handle.net/11104/0334354
     
     
  9. 9.
    0558477 - ÚFCH JH 2023 RIV CH eng J - Journal Article
    Ferus, Martin - Knížek, Antonín - Petera, Lukáš - Pastorek, Adam - Hrnčířová, J. - Jankovič, L. - Ivanek, Ondřej - Šponer, Jiří - Křivková, Anna - Saeidfirozeh, Homa - Civiš, Svatopluk - Chatzitheodoridis, E. - Mráziková, Klaudia - Nejdl, L. - Saija, F. - Šponer, Judit E. - Cassone, G.
    Formamide-Based Post-impact Thermal Prebiotic Synthesis in Simulated Craters: Intermediates, Products and Mechanism.
    Frontiers in Astronomy and Space Sciences. Roč. 9, May 2022 (2022), č. článku 882145. E-ISSN 2296-987X
    R&D Projects: GA ČR(CZ) GA21-11366S; GA MŠMT EF16_019/0000778
    Institutional support: RVO:61388955 ; RVO:68081707
    Keywords : high-energy chemistry * organic-molecules * gale crater * basis-sets * unified mechanism * hydrogen-cyanide * building-blocks * shock synthesis * purine ring * amino-acids * prebiotic chemistry * origin of life * formamide * FTIR spectroscopy * quantum-mechanical calculations * ab initio molecular dynamics * metadynamics
    OECD category: Physical chemistry; Physical chemistry (BFU-R)
    Impact factor: 3, year: 2022
    Method of publishing: Open access
    Permanent Link: http://hdl.handle.net/11104/0332124
     
     
  10. 10.
    0556885 - ÚFM 2023 RIV JP eng J - Journal Article
    Friák, Martin - Mazalová, Martina - Turek, Ilja - Schneeweiss, Oldřich - Kaštil, Jiří - Kamarád, Jiří - Šob, Mojmír
    Pressure-Induced Increase of the Total Magnetic Moment in Ferrimagnetic Ni1.9375Mn1.5625Sn0.5 Martensite: A Quantum-Mechanical Study.
    Materials Transactions. Roč. 63, č. 4 (2022), s. 430-435. ISSN 1345-9678. E-ISSN 1347-5320
    R&D Projects: GA ČR(CZ) GA20-16130S
    Institutional support: RVO:68081723 ; RVO:68378271
    Keywords : transport-properties * heusler alloy * curie-temperature * phase-transitions * crystal-structure * field * ni1.92mn1.56sn0.52 * transformations * ni2mnsn * Ni-Mn-Sn * magnetism * pressure * disorder * martensite * quantum-mechanical * stability * phonons
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.); Condensed matter physics (including formerly solid state physics, supercond.) (FZU-D)
    Impact factor: 1.2, year: 2022
    Method of publishing: Open access
    https://www.jstage.jst.go.jp/article/matertrans/63/4/63_MT-MA2022006/_article
    Permanent Link: http://hdl.handle.net/11104/0331005
     
     

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