Search results
- 1.0585093 - ÚOCHB 2025 RIV US eng J - Journal Article
Keller, W. - Fanfrlík, Jindřich - Hnyk, Drahomír
Beyond the Limits of Perbromo-Substituted Octahedral Pnictogenaboranes: A Spectroscopic and Computational Study.
European Journal of Inorganic Chemistry. Roč. 27, č. 17 (2024), č. článku e202400053. ISSN 1434-1948. E-ISSN 1099-0682
R&D Projects: GA ČR(CZ) GA19-17156S
Institutional support: RVO:61388963 ; RVO:61388980
Impact factor: 2.3, year: 2022
Method of publishing: Open access
https://doi.org/10.1002/ejic.202400053
Permanent Link: https://hdl.handle.net/11104/0352830 - 2.0572006 - ÚOCHB 2024 RIV US eng J - Journal Article
Keller, W. - Ballmann, J. - Sárosi, M. B. - Fanfrlík, Jindřich - Hnyk, Drahomír
The Telluraboranes closo-TeB5Cl5 and closo-TeB11Cl11 with Exceptionally Long Body Diagonals: Synthetic and Bonding Motifs for Innovative Octahedral and Icosahedral Geometries.
Angewandte Chemie - International Edition. Roč. 62, č. 24 (2023), č. článku e202219018. ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA ČR(CZ) GA19-17156S
Institutional support: RVO:61388963 ; RVO:61388980
Keywords : 4c-2e bonding * DFT calculations * polyhedra * solid-state chemistry * telluraboranes
OECD category: Inorganic and nuclear chemistry; Inorganic and nuclear chemistry (UACH-T)
Impact factor: 16.6, year: 2022
Method of publishing: Open access
https://doi.org/10.1002/anie.202219018
Permanent Link: https://hdl.handle.net/11104/0342842 - 3.0563155 - ÚOCHB 2023 RIV US eng J - Journal Article
Keller, W. - Hofmann, M. - Sárosi, M. B. - Fanfrlík, Jindřich - Hnyk, Drahomír
Reactivity of Perhalogenated Octahedral Phospha- and Arsaboranes toward THF: A Joint Experimental/Computational Study.
Inorganic Chemistry. Roč. 61, č. 42 (2022), s. 16565-16572. ISSN 0020-1669. E-ISSN 1520-510X
R&D Projects: GA ČR(CZ) GA19-17156S
Institutional support: RVO:61388963 ; RVO:61388980
Keywords : halogenated polyhedral phosphaboranes * crystal structure * chemical shifts
OECD category: Inorganic and nuclear chemistry; Inorganic and nuclear chemistry (UACH-T)
Impact factor: 4.6, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/acs.inorgchem.2c00971
Permanent Link: https://hdl.handle.net/11104/0335191 - 4.0557514 - 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 - 5.0545019 - 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 - 6.0543373 - ÚACH 2022 RIV GB eng J - Journal Article
Bakardjiev, Mario - Holub, Josef - Růžičková, Z. - Růžička, A. - Fanfrlík, Jindřich - Štíbr, Bohumil - McKee, M.L. - Hnyk, Drahomír
Transformation of various multicenter bondings within bicapped-square antiprismatic motifs: Z-rearrangement.
Dalton Transactions. Roč. 50, č. 35 (2021), s. 12098-12106. ISSN 1477-9226. E-ISSN 1477-9234
R&D Projects: GA ČR(CZ) GA19-17156S
Institutional support: RVO:61388980 ; RVO:61388963
Keywords : Bond formation * Molecular rearrangement * Isomerization
OECD category: Inorganic and nuclear chemistry; Physical chemistry (UOCHB-X)
Impact factor: 4.569, year: 2021
Method of publishing: Limited access
https://pubs.rsc.org/en/content/articlelanding/2021/DT/D0DT04225K#!divAbstract
Permanent Link: http://hdl.handle.net/11104/0322615 - 7.0543366 - ÚACH 2022 RIV US eng J - Journal Article
Bakardjiev, Mario - Holub, Josef - Bavol, Dmytro - Vrána, J. - Samsonov, M. A. - Růžička, A. - Růžičková, Z. - Fanfrlík, Jindřich - Hnyk, Drahomír
Thiaborane Icosahedral Barrier Increased by the Functionalization of all Terminal Hydrogens in closo-1-SB11H11.
Inorganic Chemistry. Roč. 60, č. 12 (2021), s. 8428-8431. ISSN 0020-1669. E-ISSN 1520-510X
R&D Projects: GA ČR(CZ) GA19-17156S
Institutional support: RVO:61388980 ; RVO:61388963
Keywords : Anions * Sulfur * Organic reactions * Boron * Electrostatic potential
OECD category: Inorganic and nuclear chemistry; Physical chemistry (UOCHB-X)
Impact factor: 5.436, year: 2021
Method of publishing: Limited access
https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.1c00796
Permanent Link: http://hdl.handle.net/11104/0320805
Research data: CCDC - 8.0535455 - ÚOCHB 2021 RIV DE eng J - Journal Article
Fanfrlík, Jindřich - Pecina, Adam - Řezáč, Jan - Lepšík, Martin - Sárosi, M. B. - Hnyk, Drahomír - Hobza, Pavel
Benchmark Data Sets of Boron Cluster Dihydrogen Bonding for the Validation of Approximate Computational Methods.
ChemPhysChem. Roč. 21, č. 23 (2020), s. 2599-2604. ISSN 1439-4235. E-ISSN 1439-7641
R&D Projects: GA MŠMT(CZ) EF16_019/0000729; GA ČR(CZ) GA19-17156S; GA ČR(CZ) GA19-13905S
Institutional support: RVO:61388963 ; RVO:61388980
Keywords : carbaborane * CCSD(T) * DFT-D3 * molecular mechanics * noncovalent interactions
OECD category: Physical chemistry; Inorganic and nuclear chemistry (UACH-T)
Impact factor: 3.102, year: 2020
Method of publishing: Limited access
https://doi.org/10.1002/cphc.202000729
Permanent Link: http://hdl.handle.net/11104/0313518 - 9.0533158 - ÚACH 2021 RIV CH eng J - Journal Article
Holub, Josef - Fanfrlík, Jindřich - McKee, M.L. - Hnyk, Drahomír
Reactions of experimentally known closo-C2B8H10 with bases. A computational study.
Crystals. Roč. 10, č. 10 (2020), č. článku 896. ISSN 2073-4352. E-ISSN 2073-4352
R&D Projects: GA ČR(CZ) GA19-17156S
Institutional support: RVO:61388980 ; RVO:61388963
Keywords : Carboranes * DFT * Reaction pathways
OECD category: Inorganic and nuclear chemistry; Physical chemistry (UOCHB-X)
Impact factor: 2.589, year: 2020
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0311630File Download Size Commentary Version Access Reactions.pdf 2 5.6 MB CC BY 4.0 licence Publisher’s postprint open-access SI.pdf 1 3.4 MB CC BY 4.0 licence Publisher’s postprint open-access - 10.0532249 - ÚACH 2021 RIV DE eng J - Journal Article
Holub, Josef - Vishnevskiy, Y. V. - Fanfrlík, Jindřich - Mitzel, N. W. - Tikhonov, D. - Schwabedissen, J. - McKee, M.L. - Hnyk, Drahomír
Bromination Mechanism of closo-1,2-C2B10H12 and the Structure of the Resulting 9-Br-closo-1,2-C2B10H11 Determined by Gas Electron Diffraction.
ChemPlusChem. Roč. 85, č. 12 (2020), s. 2606-2610. ISSN 2192-6506. E-ISSN 2192-6506
R&D Projects: GA ČR(CZ) GA19-17156S
Institutional support: RVO:61388980 ; RVO:61388963
Keywords : bromination * carboranes * electron diffraction * reaction pathways * transition states
OECD category: Inorganic and nuclear chemistry; Physical chemistry (UOCHB-X)
Impact factor: 2.863, year: 2020
Method of publishing: Open access
Permanent Link: http://hdl.handle.net/11104/0313545File Download Size Commentary Version Access Bromination.pdf 1 1.5 MB CC BY-NC-ND 4.0 Publisher’s postprint open-access Bromination SI.pdf 1 634.8 KB CC BY-NC-ND 4.0 Publisher’s postprint open-access