Search results
- 1.0586876 - ÚOCHB 2025 RIV DE eng J - Journal Article
Svítok, A. - Blahut, Jan - Urbanovský, P. - Hermann, P.
Dynamics of Coordinated Phosphonate Group Directly Observed by 17O-NMR in Lanthanide(III) Complexes of a Mono(ethyl phosphonate) DOTA Analogue.
Chemistry - A European Journal. (2024). ISSN 0947-6539. E-ISSN 1521-3765
Research Infrastructure: e-INFRA CZ II - 90254
Institutional support: RVO:61388963
Keywords : paramagnetic NMR * solution dynamics * macrocycle complexes * isomerism and chirality * DFT calculations
Impact factor: 4.3, year: 2022
Method of publishing: Open access
https://doi.org/10.1002/chem.202400970
Permanent Link: https://hdl.handle.net/11104/0354250 - 2.0586724 - 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 - 3.0585709 - FZÚ 2025 RIV DE eng J - Journal Article
Zuzak, R. - Kumar, Manish - Stoica, O. - Soler Polo, Diego Manuel - Brabec, Jiří - Pernal, K. - Veis, Libor - Blieck, R. - Echavarren, A. M. - Jelínek, Pavel - Godlewski, S.
On-surface synthesis and determination of the open-shell singlet ground state of tridecacene.
Angewandte Chemie - International Edition. Roč. 63, č. 9 (2024), č. článku e202317091. ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA MŠMT LM2023051; GA ČR(CZ) GA23-05486S
Institutional support: RVO:68378271 ; RVO:61388955
Keywords : diradicals * higher acenes * inelastic excitation * many-body calculations * open-shell compounds
OECD category: Condensed matter physics (including formerly solid state physics, supercond.); Physical chemistry (UFCH-W)
Impact factor: 16.6, year: 2022
Permanent Link: https://hdl.handle.net/11104/0353414 - 4.0585706 - 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/11104/0353409File Download Size Commentary Version Access 1-s2.0-S0045206824002931-main.pdf 0 3.6 MB Publisher’s postprint require - 5.0585391 - 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 - 6.0585033 - ÚFM 2025 RIV NL eng J - Journal Article
Huang, J. - Liu, Sh. - Friák, Martin - Du, Y.
First-principles investigation on adsorption poisoning and heterogeneous nucleation mechanisms in Ca modified primary Mg2Si phase.
Materials Today Communications. Roč. 39, Jun (2024), č. článku 108770. ISSN 2352-4928. E-ISSN 2352-4928
R&D Projects: GA ČR(CZ) GA22-22187S
Institutional support: RVO:68081723
Keywords : First-principles calculations * Heterogeneous nucleation * Adsorption * Interface properties
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.8, year: 2022
Method of publishing: Limited access
https://www.sciencedirect.com/science/article/pii/S2352492824007517?via%3Dihub
Permanent Link: https://hdl.handle.net/11104/0352807 - 7.0585018 - FZÚ 2025 RIV US eng J - Journal Article
Cecchi, S. - Momand, J. - Dragoni, D. - Abou El Kheir, O. - Fagiani, F. - Kriegner, Dominik - Rinaldi, C. - Arciprete, F. - Holý, V. - Kooi, B.J. - Bernasconi, M. - Calarco, R.
Thick does the trick: genesis of ferroelectricity in 2D GeTe-rich (GeTe)m(Sb2Te3)n lamellae.
Advanced Science. Roč. 11, č. 1 (2024), č. článku 2304785. E-ISSN 2198-3844
R&D Projects: GA ČR(CZ) GM22-22000M
Grant - others:AV ČR(CZ) LQ100102201
Program: Prémie Lumina quaeruntur
Institutional support: RVO:68378271
Keywords : 2D ferroelectrics * van der Waals * molecular beam epitaxy * phase-change materials * density functional theory calculations
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 15.1, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0352787File Download Size Commentary Version Access 0585018.pdf 0 5.3 MB CC Licence Publisher’s postprint open-access - 8.0584468 - 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 - 9.0583934 - ÚOCHB 2025 RIV DE eng J - Journal Article
Dunlop, David - Horváth, P. - Klán, P. - Slanina, Tomáš - Šebej, P.
Central Ring Puckering Enhances the Stokes Shift of Xanthene Dyes.
Chemistry - A European Journal. Roč. 30, č. 19 (2024), č. článku e202400024. ISSN 0947-6539. E-ISSN 1521-3765
R&D Projects: GA MŠMT(CZ) LTC20076
Research Infrastructure: RECETOX RI II - 90269
Institutional support: RVO:61388963
Keywords : conformation * fluorescence * functional dyes * pyronin * quantum chemical calculations * stokes shift * xanthene
OECD category: Physical chemistry
Impact factor: 4.3, year: 2022
Method of publishing: Open access
https://doi.org/10.1002/chem.202400024
Permanent Link: https://hdl.handle.net/11104/0351920 - 10.0583095 - 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