Search results
- 1.0583934 - 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 - 2.0578866 - ÚOCHB 2024 RIV GB eng J - Journal Article
Jaroš, Adam - Straka, Michal
Unraveling actinide–actinide bonding in fullerene cages: a DFT versus ab initio methodological study.
Physical Chemistry Chemical Physics. Roč. 25, č. 45 (2023), s. 31500-31513. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA21-17806S
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : quantum chemical calculations * density functional theory * metal-metal bonds
OECD category: Physical chemistry
Impact factor: 3.3, year: 2022
Method of publishing: Open access
https://doi.org/10.1039/D3CP03606E
Permanent Link: https://hdl.handle.net/11104/0347780 - 3.0577178 - ÚFCH JH 2024 RIV GB eng J - Journal Article
Koláčná, Lucie - Polák, P. - Liška, Alan - Tobrman, T. - Ludvík, Jiří
Pentasubstituted Phospholes with extended π-conjugated Arm Synthesis, electrochemistry, spectra and quantum chemical calculations.
Electrochimica acta. Roč. 468, NOV 2023 (2023), č. článku 143073. ISSN 0013-4686. E-ISSN 1873-3859
R&D Projects: GA ČR(CZ) GA18-12150S
Institutional support: RVO:61388955
Keywords : Pentasubstituted phospholes * Synthesis * Electrochemical oxidation and reduction * UV/VIS spectra * Fluorescence * Frontier orbitals * Quantum chemical calculations
OECD category: Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)
Impact factor: 6.6, year: 2022
Method of publishing: Limited access
Permanent Link: https://hdl.handle.net/11104/0346400File Download Size Commentary Version Access 0577178.pdf 0 3.6 MB Publisher’s postprint require - 4.0573390 - ÚFCH JH 2024 RIV GB eng J - Journal Article
Šimková, Ludmila - Lušpai, Karol - Klíma, Jiří - Liška, Alan - Dudič, Miroslav - Michl, Josef - Ludvík, Jiří
Phenyl-substituted cibalackrot derivatives: Redox behavior, structure-properties relationships and in situ UV-vis/EPR-spectroelectrochemistry of radical ions.
Electrochimica acta. Roč. 458, AUG 2023 (2023), č. článku 142498. ISSN 0013-4686. E-ISSN 1873-3859
R&D Projects: GA ČR(CZ) GA19-22806S
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388955 ; RVO:61388963
Keywords : electrochemistry * UV-vis and EPR spectra * LFER * quantum chemical calculations
OECD category: Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)
Impact factor: 6.6, year: 2022
Method of publishing: Limited access
Permanent Link: https://hdl.handle.net/11104/0343850File Download Size Commentary Version Access 0573390.pdf 1 6.1 MB Publisher’s postprint require - 5.0541692 - FZÚ 2022 RIV NL eng J - Journal Article
El Bali, B. - Lachkar, M. - Direm, A. - Cetiner, E. - Sayin, K. - Dušek, Michal
Experimental and computational studies of di-μ-chlorido-bis[chlorido(1,10-phenanthroline-K2N,N')nickel(II)] NiCl2(H2O)(C12N2H8): Crystal structure, quantitative analysis of the intermolecular interactions and electronic properties.
Journal of Molecular Structure. Roč. 1227, Mar (2021), č. článku 129576. ISSN 0022-2860. E-ISSN 1872-8014
R&D Projects: GA ČR(CZ) GA18-10438S; GA MŠMT(CZ) LO1603
EU Projects: European Commission(CZ) CZ.2.16/3.1.00/24510
Institutional support: RVO:68378271
Keywords : Ni(II) complex * crystal structure * Hirshfeld surface analysis * MEP map * quantum chemical calculations
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.841, year: 2021
Method of publishing: Limited access
https://doi.org/10.1016/j.molstruc.2020.129576
Permanent Link: http://hdl.handle.net/11104/0319223 - 6.0524556 - ÚOCHB 2021 RIV CH eng J - Journal Article
Socha, Ondřej - Dračínský, Martin
Dimerization of Acetic Acid in the Gas Phase—NMR Experiments and Quantum-Chemical Calculations.
Molecules. Roč. 25, č. 9 (2020), č. článku 2150. E-ISSN 1420-3049
R&D Projects: GA ČR(CZ) GA20-01472S
Institutional support: RVO:61388963
Keywords : NMR spectroscopy * quantum-chemical calculations * phase transitions * carboxylic acids * hydrogen bonding
OECD category: Physical chemistry
Impact factor: 4.412, year: 2020
Method of publishing: Open access
https://www.mdpi.com/1420-3049/25/9/2150
Permanent Link: http://hdl.handle.net/11104/0308898 - 7.0507933 - ÚACH 2020 RIV US eng J - Journal Article
Londesborough, Michael Geoffrey Stephen - Dolanský, Jiří - Bould, Jonathan - Braborec, Jakub - Kirakci, Kaplan - Lang, Kamil - Císařová, I. - Kubát, Pavel - Roca-Sanjuan, D. - Frances-Monerris, A. - Slušná, L. - Noskovičová, E. - Lorenc, D.
Effect of Iodination on the Photophysics of the Laser Borane anti-B18H22: Generation of Efficient Photosensitizers of Oxygen.
Inorganic Chemistry. Roč. 58, č. 15 (2019), s. 10248-10259. ISSN 0020-1669. E-ISSN 1520-510X
R&D Projects: GA ČR(CZ) GA18-20286S
Grant - others:AV ČR(CZ) StrategieAV21/10
Program: StrategieAV
Institutional support: RVO:61388980 ; RVO:61388955
Keywords : quantum-chemical calculations * photodynamic therapy * carborane * dyads * photoluminescence
OECD category: Inorganic and nuclear chemistry; Physical chemistry (UFCH-W)
Impact factor: 4.825, year: 2019
Method of publishing: Limited access
https://pubs.acs.org/doi/10.1021/acs.inorgchem.9b01358
Permanent Link: http://hdl.handle.net/11104/0298896File Download Size Commentary Version Access 0507933.pdf 1 4.7 MB Publisher’s postprint require - 8.0502104 - ÚOCHB 2020 RIV DE eng J - Journal Article
Straka, Michal - Andris, E. - Vícha, J. - Růžička, A. - Roithová, J. - Rulíšek, Lubomír
Spectroscopic and Computational Evidence of Intramolecular AuI⋅⋅⋅H+−N Hydrogen Bonding.
Angewandte Chemie - International Edition. Roč. 58, č. 7 (2019), s. 2011-2016. ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA ČR(CZ) GA17-07091S
Institutional support: RVO:61388963
Keywords : anharmonic spectra * gold(I) carbenes * hydrogen bonding to gold * infrared photodissociation spectroscopy * quantum chemical calculations
OECD category: Physical chemistry
Impact factor: 12.959, year: 2019
Method of publishing: Open access
https://onlinelibrary.wiley.com/doi/full/10.1002/anie.201811982
Permanent Link: http://hdl.handle.net/11104/0296403File Download Size Commentary Version Access 0502104.pdf 8 3.7 MB Publisher’s postprint open-access - 9.0489616 - ÚOCHB 2019 RIV GB eng J - Journal Article
Melichar, Petr - Hnyk, Drahomír - Fanfrlík, Jindřich
A systematic examination of classical and multi-center bonding in heteroborane clusters.
Physical Chemistry Chemical Physics. Roč. 20, č. 7 (2018), s. 4666-4675. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA17-08045S
Institutional support: RVO:61388963 ; RVO:61388980
Keywords : quantum chemical calculations * phase electron diffraction * ab initio calculations
OECD category: Physical chemistry; Inorganic and nuclear chemistry (UACH-T)
Impact factor: 3.567, year: 2018
http://pubs.rsc.org/en/content/articlehtml/2018/cp/c7cp07422k
Permanent Link: http://hdl.handle.net/11104/0283999 - 10.0480490 - MBÚ 2018 RIV GB eng J - Journal Article
Biler, M. - Biedermann, David - Valentová, Kateřina - Křen, Vladimír - Kubala, M.
Quercetin and its analogues: optical and acido-basic properties.
Physical Chemistry Chemical Physics. Roč. 19, č. 39 (2017), s. 26870-26879. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT(CZ) LD15082; GA MŠMT(CZ) LTC17009
Institutional support: RVO:61388971
Keywords : QUANTUM-CHEMICAL CALCULATIONS * ALPHA-L-RHAMNOSIDASE * ANTIOXIDANT ACTIVITY
OECD category: Physical chemistry
Impact factor: 3.906, year: 2017
Permanent Link: http://hdl.handle.net/11104/0276345