Search results
- 1.0585118 - 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 - 2.0584955 - 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/11104/0352744File Download Size Commentary Version Access 0584955.pdf 1 2 MB CC Licence Publisher’s postprint open-access - 3.0584468 - 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 - 4.0583162 - 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/11104/0351154File Download Size Commentary Version Access 0583162.pdf 0 1.5 MB CC Licence Publisher’s postprint open-access - 5.0583095 - 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. (2024). ISSN 0173-0835. E-ISSN 1522-2683
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 - 6.0581766 - 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/11104/0349912File Download Size Commentary Version Access 0581766.pdf 0 2.4 MB CC licence Publisher’s postprint open-access - 7.0581575 - ÚOCHB 2025 RIV GB eng J - Journal Article
Berešová, Marie - Bufka, Jiří - Šafařík, Martin - Bouř, Petr - Šebestík, Jaroslav
Conformations and hydration of halopropionic acids studied by molecular dynamics and Raman optical activity.
Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. Roč. 309, March (2024), č. článku 123852. ISSN 1386-1425. E-ISSN 1873-3557
R&D Projects: GA ČR(CZ) GA22-04669S
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : chiral halocompounds * raman optical activity (ROA) * density functional theory (DFT) * solvation effects
Impact factor: 4.4, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.saa.2024.123852
Permanent Link: https://hdl.handle.net/11104/0349676 - 8.0579738 - ÚFM 2025 RIV CH eng J - Journal Article
Brož, P. - Yan, X. - Romaka, V. - Fabrichnaya, O. - Kriegel, M. J. - Buršíková, V. - Buršík, Jiří - Vřešťál, J. - Rogl, G. - Michor, H. - Bauer, E. - Eiberger, M. - Grytsiv, A. - Giester, G. - Rogl, P.F.
Constitution, physical properties and thermodynamic modeling of the Hf-Mn system.
Journal of Alloys and Compounds. Roč. 976, March (2024), č. článku 173060. ISSN 0925-8388. E-ISSN 1873-4669
Institutional support: RVO:68081723
Keywords : Intermetallics * Crystal structure * Laves phase * Phase diagrams * Physical properties * DFT
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 6.2, year: 2022
Method of publishing: Limited access
https://www.sciencedirect.com/science/article/pii/S0925838823043633?via%3Dihub
Permanent Link: https://hdl.handle.net/11104/0350125 - 9.0578834 - ÚFCH JH 2025 RIV NL eng J - Journal Article
Lavrič, Ž. - Teržan, J. - Kroflič, A. - Zavašnik, J. - Olszówka, Joanna Elżbieta - Vajda, Štefan - Huš, M. - Grilc, M. - Likozar, B.
Selective glucose oxidation to glucaric acid using bimetallic catalysts: Lattice expansion or electronic structure effect?
Applied Catalysis B - Environmental. Roč. 343, APR 2024 (2024), č. článku 123455. ISSN 0926-3373. E-ISSN 1873-3883
R&D Projects: GA ČR(CZ) GF21-48595L
Institutional support: RVO:61388955
Keywords : glucaric acid * glucose oxidation * catalyst characterization * DFT
OECD category: Physical chemistry
Impact factor: 22.1, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0347751File Download Size Commentary Version Access 0578834.pdf 3 11.2 MB Publisher’s postprint open-access - 10.0578820 - ÚOCHB 2024 RIV DE eng J - Journal Article
Sabt, A. - Abdelraof, M. - Hamissa, Mohamed Farouk - Noamaan, M. A.
Antibacterial Activity of Quinoline-Based Derivatives against Methicillin-Resistant Staphylococcus aureus and Pseudomonas aeruginosa: Design, Synthesis, DFT and Molecular Dynamic Simulations.
Chemistry & Biodiversity. Roč. 20, č. 11 (2023), č. článku e202300804. ISSN 1612-1872. E-ISSN 1612-1880
Institutional support: RVO:61388963
Keywords : quinoline derivatives * methicillin-resistant Staphylococcus aureus (MRSA) * Pseudomonas aeruginosa * molecular docking * DFT * molecular dynamics simulation (MD)
OECD category: Physical chemistry
Impact factor: 2.9, year: 2022
Method of publishing: Limited access
https://doi.org/10.1002/cbdv.202300804
Permanent Link: https://hdl.handle.net/11104/0347728