Search results

  1. 1.
    0585970 - FZÚ 2025 RIV GB eng J - Journal Article
    Cichoň, Stanislav - Máca, František - Drchal, Václav - Horáková, Kateřina - Kratochvílová, Irena - Lančok, Ján - Cháb, Vladimír - Čermák, P. - Navrátil, J. - Drašar, Č.
    Doping of n-type Bi2Se3 single crystal with Fe, Ru, Os, and Mo.
    Journal of Physics and Chemistry of Solids. Roč. 185, Feb (2024), č. článku 111794. ISSN 0022-3697. E-ISSN 1879-2553
    R&D Projects: GA ČR GA19-16315S; GA MŠMT(CZ) EF16_019/0000760
    Research Infrastructure: e-INFRA CZ II - 90254
    Institutional support: RVO:68378271
    Keywords : Bi2Se3 * free melt crystallization * photoelectron spectroscopy * DFT calculation * Dirac cone * doping
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
    Impact factor: 4, year: 2022
    Permanent Link: https://hdl.handle.net/11104/0353596
     
     
  2. 2.
    0585706 - ÚOCHB 2025 RIV NL eng J - Journal Article
    Chaloupecká, Ema - Kurfiřt, Martin - Červenková Šťastná, Lucie - Karban, Jindřich - Dračínský, Martin
    Exploring long-range fluorine-carbon J-coupling for conformational analysis of deoxyfluorinated disaccharides: A combined computational and NMR study.
    Bioorganic Chemistry. Roč. 147, June (2024), č. článku 107388. ISSN 0045-2068. E-ISSN 1090-2120
    R&D Projects: GA ČR(CZ) GA23-05146S
    Institutional support: RVO:61388963 ; RVO:67985858
    Keywords : saccharides * NMR spectroscopy * conformation * DFT calculations * fluorine
    OECD category: Organic chemistry (UCHP-M)
    Impact factor: 5.1, year: 2022
    Method of publishing: Limited access
    https://doi.org/10.1016/j.bioorg.2024.107388
    Permanent Link: https://hdl.handle.net/11104/0353409
     
     
  3. 3.
    0585674 - FZÚ 2025 RIV US eng J - Journal Article
    Cahlík, Aleš - Ondráček, Martin - Wäckerlin, Christian - Pinar Solé, Andres - Siri, O. - Švec, Martin - Jelínek, Pavel
    Light-controlled multiconfigurational conductance switching in a single 1D metal-organic wire.
    ACS Nano. Roč. 18, č. 13 (2024), s. 9576-9583. ISSN 1936-0851. E-ISSN 1936-086X
    R&D Projects: GA ČR(CZ) GX20-13692X; GA MŠMT LM2023051
    Research Infrastructure: e-INFRA CZ II - 90254
    Institutional support: RVO:68378271
    Keywords : spin cross over * DFT * SPM
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
    Impact factor: 17.1, year: 2022
    Method of publishing: Open access
    Permanent Link: https://hdl.handle.net/11104/0353361
    FileDownloadSizeCommentaryVersionAccess
    0585674.pdf03.9 MBCC LicencePublisher’s postprintopen-access
     
     
  4. 4.
    0585553 - ÚOCHB 2025 RIV US eng J - Journal Article
    Xu, R. - Jiang, Z. - Yang, Qin - Bloino, J. - Biczysko, M.
    Harmonic and anharmonic vibrational computations for biomolecular building blocks: Benchmarking DFT and basis sets by theoretical and experimental IR spectrum of glycine conformers.
    Journal of Computational Chemistry. (2024). ISSN 0192-8651. E-ISSN 1096-987X
    Institutional support: RVO:61388963
    Keywords : benchmark * biomolecules * database * DFT * vibrational spectroscopy * VPT2
    Impact factor: 3, year: 2022
    Method of publishing: Limited access
    https://doi.org/10.1002/jcc.27377
    Permanent Link: https://hdl.handle.net/11104/0353261
     
     
  5. 5.
    0585118 - FZÚ 2025 RIV NL eng J - Journal Article
    Zinatloo-Ajabshir, S. - Rakhshani, Sa. - Mehrabadi, Z. - Farsadrooh, M. - Feizi-Dehnayebi, M. - Rakhshani, S. - Dušek, Michal - Eigner, Václav - Rtimi, S. - Aminabhavi, T.M.
    Novel rod-like [Cu(phen)2(OAc)]•PF6 complex for high-performance visible-light-driven photocatalytic degradation of hazardous organic dyes: DFT approach, Hirshfeld and fingerprint plot analysis.
    Journal of Environmental Management. Roč. 350, Jan (2024), č. článku 119545. ISSN 0301-4797. E-ISSN 1095-8630
    R&D Projects: GA MŠMT LM2023051
    Institutional support: RVO:68378271
    Keywords : photocatalytic degradation * organic pollutants * visible light * DFT calculation * band gap engineering * molecular electrostatic potential
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
    Impact factor: 8.7, year: 2022
    Permanent Link: https://hdl.handle.net/11104/0352850
     
     
  6. 6.
    0584955 - FZÚ 2025 RIV GB eng J - Journal Article
    Berdonces-Layunta, A. - Matěj, Adam - Jimenez-Martin, Alejandro - Lawrence, J. - Mohammed, M.S.G. - Wang, T. - Mallada Faes, Benjamin Jose - de la Torre, B. - Martínez, A. - Vilas-Varela, M. - Nieman, R. - Lischka, H. - Nachtigallová, Dana - Pena, D. - Jelínek, Pavel - de Oteyza, D.G.
    The effect of water on gold supported chiral graphene nanoribbons: rupture of conjugation by an alternating hydrogenation pattern.
    Nanoscale. Roč. 16, č. 2 (2024), s. 734-741. ISSN 2040-3364. E-ISSN 2040-3372
    R&D Projects: GA ČR(CZ) GX20-13692X
    Grant - others:AV ČR(CZ) AP1601
    Program: Akademická prémie - Praemium Academiae
    Research Infrastructure: CzechNanoLab II - 90251; e-INFRA CZ - 90140
    Institutional support: RVO:68378271 ; RVO:61388963
    Keywords : SPM * graphene nanoribbons * reactivity * DFT
    OECD category: Condensed matter physics (including formerly solid state physics, supercond.); Physical chemistry (UOCHB-X)
    Impact factor: 6.7, year: 2022
    Method of publishing: Open access
    Permanent Link: https://hdl.handle.net/11104/0352744
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    0584955.pdf12 MBCC LicencePublisher’s postprintopen-access
     
     
  7. 7.
    0584468 - ÚOCHB 2025 RIV GB eng J - Journal Article
    Chaloupecká, Ema - Tyrpekl, V. - Bártová, Kateřina - Nishiyama, Y. - Dračínský, Martin
    NMR crystallography of amino acids.
    Solid State Nuclear Magnetic Resonance. Roč. 130, April (2024), s. 101921. ISSN 0926-2040. E-ISSN 1527-3326
    R&D Projects: GA ČR(CZ) GA22-15374S
    Institutional support: RVO:61388963
    Keywords : solid-state NMR spectroscopy * DFT calculations * amino acids * polymorphism * disorder
    Impact factor: 3.2, year: 2022
    Method of publishing: Limited access
    https://doi.org/10.1016/j.ssnmr.2024.101921
    Permanent Link: https://hdl.handle.net/11104/0352378
     
     
  8. 8.
    0583162 - FZÚ 2024 RIV US eng J - Journal Article
    Cojocariu, I. - Windischbacher, A. - Baranowski, D. - Jugovac, M. - de Campos Ferreira, Rodrigo Cezar - Doležal, Jiří - Švec, Martin - Zamalloa-Serrano, J.M. - Tormen, M. - Schio, L. - Floreano, L. - Dreiser, J. - Puschnig, P. - Feyer, V. - Schneider, C.M.
    Surface-mediated spin locking and thermal unlocking in a 2D molecular array.
    Advanced Science. Roč. 10, č. 22 (2023), č. článku 2300223. E-ISSN 2198-3844
    Institutional support: RVO:68378271
    Keywords : molecules * spin * bistability * XMCD * SPM * XPS * NEXAFS * DFT
    OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
    Impact factor: 15.1, year: 2022
    Method of publishing: Open access
    Permanent Link: https://hdl.handle.net/11104/0351154
    FileDownloadSizeCommentaryVersionAccess
    0583162.pdf01.5 MBCC LicencePublisher’s postprintopen-access
     
     
  9. 9.
    0583095 - ÚOCHB 2025 RIV US eng J - Journal Article
    Štěpánová, Sille - Andris, Erik - Gutten, Ondrej - Buděšínský, Miloš - Dejmek, Milan - Břehová, Petra - Rulíšek, Lubomír - Kašička, Václav
    Acidity constants and protonation sites of cyclic dinucleotides determined by capillary electrophoresis, quantum chemical calculations, and NMR spectroscopy.
    Electrophoresis. Roč. 45, 7/8 (2024), s. 687-705. ISSN 0173-0835. E-ISSN 1522-2683
    R&D Projects: GA ČR(CZ) GA20-03899S; GA ČR(CZ) GA23-05940S
    Institutional support: RVO:61388963
    Keywords : acidity constant * capillary electrophoresis * cyclic dinucleotides * DFT calculations * NMR spectroscopy
    Impact factor: 2.9, year: 2022
    Method of publishing: Open access
    https://doi.org/10.1002/elps.202300232
    Permanent Link: https://hdl.handle.net/11104/0351092
     
     
  10. 10.
    0581766 - FZÚ 2024 RIV US eng J - Journal Article
    WU, X. - Borca, B. - Sen, S. - Koslowski, S. - Abb, S. - Rosenblatt, D.P. - Gallardo Caparrós, Aurelio Jesús - Mendieta Moreno, Jesús Ignacio - Nachtigall, Matyáš - Jelínek, Pavel - Rauschenbach, S. - Kern, K. - Schlickum, U.
    Molecular sensitised probe for amino acid recognition within peptide sequences.
    Nature Communications. Roč. 14, č. 1 (2023), č. článku 8335. E-ISSN 2041-1723
    R&D Projects: GA ČR(CZ) GX20-13692X
    Research Infrastructure: e-INFRA CZ II - 90254; CzechNanoLab II - 90251
    Institutional support: RVO:68378271
    Keywords : SPM * recogniton * peptides * DFT
    OECD category: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
    Impact factor: 16.6, year: 2022
    Method of publishing: Open access
    Permanent Link: https://hdl.handle.net/11104/0349912
    FileDownloadSizeCommentaryVersionAccess
    0581766.pdf02.4 MBCC licencePublisher’s postprintopen-access
     
     

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