Search results
- 1.0500942 - ÚACH 2020 RIV DE eng J - Journal Article
Baše, Tomáš - Holub, Josef - Fanfrlík, Jindřich - Hnyk, Drahomír - Lane, P. D. - Wann, D. A. - Vishnevskiy, Y. V. - Tikhonov, D. S. - Reuter, C. G. - Mitzel, N. W.
Icosahedral Carbaboranes with Peripheral Hydrogen–Chalcogenide Groups: Structures from Gas Electron Diffraction and Chemical Shielding in Solution.
Chemistry - A European Journal. Roč. 25, č. 9 (2019), s. 2313-2321. ISSN 0947-6539. E-ISSN 1521-3765
R&D Projects: GA ČR(CZ) GA17-08045S
Institutional support: RVO:61388980 ; RVO:61388963
Keywords : ab initio calculations * carboranes * electron diffraction * selenols * thiols
OECD category: Inorganic and nuclear chemistry; Physical chemistry (UOCHB-X)
Impact factor: 4.857, year: 2019
Method of publishing: Limited access
https://onlinelibrary.wiley.com/doi/full/10.1002/chem.201805145
Permanent Link: http://hdl.handle.net/11104/0295231
Research data: Wiley onlinelibrary - 2.0470382 - ÚACH 2017 RIV US eng J - Journal Article
Štíbr, Bohumil - Holub, Josef - Bakardjiev, Mario - Lane, P. D. - McKee, M. - Wann, D. A. - Hnyk, Drahomír
Unusual cage rearrangements in 10-vertex nido-5,6-dicarbaborane derivatives: An interplay between theory and experiment.
Inorganic Chemistry. Roč. 56, č. 2 (2017), s. 852-860. ISSN 0020-1669. E-ISSN 1520-510X
R&D Projects: GA ČR(CZ) GA16-01618S
Institutional support: RVO:61388980
Keywords : dicarbaborane derivatives * nuclear-magnetic-resonance * regular 2-component hamiltonians
OECD category: Inorganic and nuclear chemistry
Impact factor: 4.700, year: 2017
Permanent Link: http://hdl.handle.net/11104/0270287
Research data: ACS publications - 3.0469318 - ÚOCHB 2017 RIV DE eng J - Journal Article
Fanfrlík, Jindřich - Holub, Josef - Růžičková, Z. - Řezáč, Jan - Lane, P. D. - Wann, D. A. - Hnyk, Drahomír - Růžička, A. - Hobza, Pavel
Competition between Halogen, Hydrogen and Dihydrogen Bonding in Brominated Carboranes.
ChemPhysChem. Roč. 17, č. 21 (2016), s. 3373-3376. ISSN 1439-4235. E-ISSN 1439-7641
R&D Projects: GA ČR(CZ) GBP208/12/G016; GA ČR(CZ) GA15-05677S
Institutional support: RVO:61388963 ; RVO:61388980
Keywords : bromine * carboranes * halogen bonds * sigma holes * X-ray crystal structure
Subject RIV: CF - Physical ; Theoretical Chemistry; CA - Inorganic Chemistry (UACH-T)
Impact factor: 3.075, year: 2016
Permanent Link: http://hdl.handle.net/11104/0267126 - 4.0454313 - ÚACH 2016 RIV US eng J - Journal Article
Vishnevskiy, Y. V. - Tikhonov, D. S. - Reuter, C. G. - Mitzel, N. W. - Hnyk, Drahomír - Holub, Josef - Wann, D. A. - Lane, P. D. - Berger, R. J. F. - Hayes, S. A.
Influence of Antipodally Coupled Iodine and Carbon Atoms on the Cage Structure of 9,12-I-2-closo-1,2-C2B10H10: An Electron Diffraction and Computational Study.
Inorganic Chemistry. Roč. 54, č. 24 (2015), s. 11868-11874. ISSN 0020-1669. E-ISSN 1520-510X
R&D Projects: GA ČR(CZ) GAP207/11/0705
Institutional support: RVO:61388980
Keywords : Regular 2-component hamiltonians * NMR chemical-shifts * Molecular-structures
Subject RIV: CA - Inorganic Chemistry
Impact factor: 4.820, year: 2015
Permanent Link: http://hdl.handle.net/11104/0255024 - 5.0421785 - ÚACH 2014 RIV GB eng J - Journal Article
Wann, D. A. - Lane, P. D. - Robertson, H. E. - Baše, Tomáš - Hnyk, Drahomír
The gaseous structure of closo-9,12-(SH)(2)-1,2-C2B10H10, a modifier of gold surfaces, as determined using electron diffraction and computational methods.
Dalton Transactions. Roč. 42, č. 33 (2013), s. 12015-12019. ISSN 1477-9226. E-ISSN 1477-9234
R&D Projects: GA ČR GAP208/10/2269
Institutional support: RVO:61388980
Keywords : AB-INITIO CALCULATIONS * GAUSSIAN-BASIS SETS * CORRELATED MOLECULAR CALCULATIONS * THERMOCHEMISTRY * CARBABORANES
Subject RIV: CA - Inorganic Chemistry
Impact factor: 4.097, year: 2013
Permanent Link: http://hdl.handle.net/11104/0228055 - 6.0397220 - ÚACH 2014 RIV US eng J - Journal Article
Wann, D. A. - Lane, P. D. - Robertson, H. E. - Holub, Josef - Hnyk, Drahomír
Structures of, and Related Consequences of Deprotonation on, Two C-s-Symmetric Arachno Nine-Vertex Heteroboranes, 4,6-X2B7H9 (X = CH2; S) Studied by Gas Electron Diffraction/Quantum Chemical Calculations and GIAO/NMR.
Inorganic Chemistry. Roč. 52, č. 8 (2013), s. 4502-4508. ISSN 0020-1669. E-ISSN 1520-510X
R&D Projects: GA ČR GAP208/10/2269
Institutional support: RVO:61388980
Keywords : GAUSSIAN-BASIS SETS * CORRELATED MOLECULAR CALCULATIONS * AB-INITIO CALCULATIONS
Subject RIV: CA - Inorganic Chemistry
Impact factor: 4.794, year: 2013
Permanent Link: http://hdl.handle.net/11104/0224829