Search results
- 1.0573976 - ÚACH 2024 RIV US eng J - Journal Article
Horáček, O. - Dhaubhadel, U. - Holub, Josef - Grüner, Bohumír - Armstrong, D.W. - Kučera, R.
Employment of chiral columns with superficially porous particles in chiral separations of cobalt bis (dicarbollide) and nido-7,8-C2B9H12(1-) derivatives.
Chirality. Roč. 35, č. 12 (2023), s. 937-951. ISSN 0899-0042. E-ISSN 1520-636X
R&D Projects: GA ČR(CZ) GA21-14409S
Institutional support: RVO:61388980
Keywords : carboranes * chiral separations * cobalt bis (dicarbollides) * cyclodextrin * nido-carboranes * superficially porous particles * vancomycin
OECD category: Inorganic and nuclear chemistry
Impact factor: 2, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0347784File Download Size Commentary Version Access Employment.pdf 0 1.9 MB CC BY-NC-ND 4.0 licence Publisher’s postprint open-access Employment SI.pdf 1 1.6 MB CC BY-NC-ND 4.0 licence Publisher’s postprint open-access
Research data: Wiley Online Library - 2.0573883 - ÚOCHB 2024 RIV GB eng J - Journal Article
Keller, W. - Sárosi, M. B. - Fanfrlík, Jindřich - Straka, Michal - Holub, Josef - McKee, M. L. - Hnyk, Drahomír
Boron-based octahedral dication experimentally detected: DFT surface confirms its availability.
RSC Advances. Roč. 13, č. 28 (2023), s. 19627-19637. E-ISSN 2046-2069
R&D Projects: GA ČR(CZ) GA22-03945S
Institutional support: RVO:61388963 ; RVO:61388980
Keywords : reaction pathway * dication * heteroborane cluster
OECD category: Physical chemistry; Inorganic and nuclear chemistry (UACH-T)
Impact factor: 3.9, year: 2022
Method of publishing: Open access
https://doi.org/10.1039/D3RA03665K
Permanent Link: https://hdl.handle.net/11104/0344240File Download Size Commentary Version Access Boron-based.pdf 0 1.4 MB CC BY-NC licence Publisher’s postprint open-access Boron-based SI.pdf 0 947.8 KB CC BY-NC licence Publisher’s postprint open-access - 3.0571844 - ÚACH 2024 RIV CH eng J - Journal Article
McKee, M.L. - Vrána, J. - Holub, Josef - Fanfrlík, Jindřich - Hnyk, Drahomír
DFT Surface Infers Ten-Vertex Cationic Carboranes from the Corresponding Neutral closo Ten-Vertex Family: The Computed Background Confirming Their Experimental Availability.
Molecules. Roč. 28, č. 8 (2023), č. článku 3645. E-ISSN 1420-3049
R&D Projects: GA ČR(CZ) GA22-03945S
Institutional support: RVO:61388980 ; RVO:61388963
Keywords : carboranes * cations * DFT * N-heterocyclic carbenes * reaction pathways
OECD category: Inorganic and nuclear chemistry; Physical chemistry (UOCHB-X)
Impact factor: 4.6, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0342758File Download Size Commentary Version Access DFT.pdf 0 5.8 MB CC BY licence Publisher’s postprint open-access DFT SI.pdf 0 410.4 KB CC BY licence Publisher’s postprint open-access - 4.0571109 - ÚACH 2024 RIV US eng J - Journal Article
Marco, J. F. - Dávalos-Prado, J. Z. - Hnyk, Drahomír - Holub, Josef - Oña, O. B. - Alcoba, D. R. - Ferrer, M. - Elguero, J. - Lain, L. - Torre, A. - Oliva-Enrich, J. M.
Two Shared Icosahedral Metallacarboranes through Iron: A Joint Experimental and Theoretical Refinement of Mössbauer Spectrum in [Fe(1,2-C2B9H11)2]Cs.
ACS Omega. Roč. 8, č. 15 (2023), s. 13993-14004. ISSN 2470-1343. E-ISSN 2470-1343
Institutional support: RVO:61388980
Keywords : Anions * Conformation * Energy * Molecular structure * Quantum mechanics
OECD category: Inorganic and nuclear chemistry
Impact factor: 4.1, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0342410File Download Size Commentary Version Access Two.pdf 0 8.6 MB CC BY NC ND licence Publisher’s postprint open-access Two SI.pdf 0 1.1 MB CC BY NC ND licence Publisher’s postprint open-access
Research data: ACS Publications - 5.0567034 - ÚOCHB 2024 RIV GB eng J - Journal Article
Fanfrlík, Jindřich - Brynda, Jiří - Kugler, Michael - Lepšík, Martin - Pospíšilová, Klára - Holub, Josef - Hnyk, Drahomír - Nekvinda, Jan - Grüner, Bohumír - Řezáčová, Pavlína
B-H⋯π and C-H⋯π interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides.
Physical Chemistry Chemical Physics. Roč. 25, č. 3 (2023), s. 1728-1733. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT(CZ) EF16_019/0000729; GA MŠMT LX22NPO5102; GA ČR(CZ) GA21-14409S
Institutional support: RVO:61388963 ; RVO:61388980
Keywords : ⋯π * hydrogen bond * dispersion
OECD category: Physical chemistry; Inorganic and nuclear chemistry (UACH-T)
Impact factor: 3.3, year: 2022
Method of publishing: Open access
https://doi.org/10.1039/D2CP04673C
Permanent Link: https://hdl.handle.net/11104/0338302File Download Size Commentary Version Access 10.1039D2CP04673C.pdf 2 2 MB Publisher’s postprint open-access - 6.0557879 - ÚACH 2024 RIV US eng J - Journal Article
Perumalla, D. - Ghorai, S. - Pal, T. - Hnyk, Drahomír - Holub, Josef - Jemmis, E. D.
Rearrangement of dicarboranyl methyl cation to icosahedral C3B9H12+: An ab initio dynamics view.
Journal of Computational Chemistry. Roč. 44, č. 3 (2023), s. 256-260. ISSN 0192-8651. E-ISSN 1096-987X
R&D Projects: GA ČR(CZ) GA22-03945S
Institutional support: RVO:61388980
Keywords : molecular-dynamics * carboranes * carborane cation * metadynamics * tropylium rearrangement
OECD category: Inorganic and nuclear chemistry
Impact factor: 3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1002/jcc.26880
Permanent Link: https://hdl.handle.net/11104/0337479 - 7.0557516 - ÚACH 2023 RIV NL eng J - Journal Article
Horáček, O. - Marvalová, J. - Štilcová, K. - Holub, Josef - Grüner, Bohumír - Kučera, R.
Reversed-phase chromatography as an effective tool for the chiral separation of anionic and zwitterionic carboranes using polysaccharide-based chiral selectors.
Journal of Chromatography A. Roč. 1672, JUN (2022), č. článku 463051. ISSN 0021-9673. E-ISSN 1873-3778
R&D Projects: GA ČR(CZ) GA21-14409S
Institutional support: RVO:61388980
Keywords : Boron clusters * Carboranes * Chiral separation * HPLC * Polysaccharides * Reversed-phase
OECD category: Inorganic and nuclear chemistry
Impact factor: 4.1, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.chroma.2022.463051
Permanent Link: http://hdl.handle.net/11104/0331487 - 8.0557514 - ÚACH 2023 RIV NL eng J - Journal Article
Holub, Josef - Bakardjiev, Mario - McKee, M.L. - Hnyk, Drahomír
Ten-vertex closo-carboranes react with “wet” fluoride: A direct closo-to-arachno transformation as a result of a hydride transfer.
Inorganica chimica acta. Roč. 538, AUG (2022), č. článku 121000. ISSN 0020-1693. E-ISSN 1873-3255
R&D Projects: GA ČR(CZ) GA19-17156S
Institutional support: RVO:61388980
Keywords : Carboranes * DFT * Dismantling * Reaction pathway
OECD category: Inorganic and nuclear chemistry
Impact factor: 2.8, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.ica.2022.121000
Permanent Link: http://hdl.handle.net/11104/0331485 - 9.0555732 - BFÚ 2022 RIV CH eng J - Journal Article
Fojt, Lukáš - Grüner, Bohumír - Holub, Josef - Havran, Luděk - Fojta, Miroslav
Electrochemistry of icosahedral metal full and half sandwich metallacarboranes in phosphate buffers.
Journal of Electroanalytical Chemistry. Roč. 910, April 2022 (2022), č. článku 116165. ISSN 1572-6657. E-ISSN 1873-2569
R&D Projects: GA ČR(CZ) GA19-04630S
Institutional support: RVO:68081707 ; RVO:61388980
Keywords : Dicarbollides * Glassy carbon electrode * Molecular sensors and probes
OECD category: Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis); Inorganic and nuclear chemistry (UACH-T)
Impact factor: 4.5, year: 2022
Method of publishing: Limited access
https://www.sciencedirect.com/science/article/pii/S1572665722001576
Permanent Link: http://hdl.handle.net/11104/0330188 - 10.0545019 - ÚACH 2022 RIV GB eng J - Journal Article
Vrána, J. - Holub, Josef - Samsonov, M. A. - Růžičková, Z. - Cvačka, Josef - McKee, M.L. - Fanfrlík, Jindřich - Hnyk, Drahomír - Růžička, A.
Access to cationic polyhedral carboranes via dynamic cage surgery with N-heterocyclic carbenes.
Nature Communications. Roč. 12, č. 1 (2021), č. článku 4971. E-ISSN 2041-1723
R&D Projects: GA ČR(CZ) GA19-17156S
Institutional support: RVO:61388980 ; RVO:61388963
Keywords : chemical bonding * ligands * boranes
OECD category: Inorganic and nuclear chemistry; Physical chemistry (UOCHB-X)
Impact factor: 17.694, year: 2021
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0321798File Download Size Commentary Version Access Access.pdf 0 1.7 MB CC BY 4.0 licence Publisher’s postprint open-access Access SI.pdf 0 7.3 MB CC BY 4.0 licence Publisher’s postprint open-access