Search results
- 1.0557147 - ÚOCHB 2023 CZ eng A - Abstract
Vícha, Jan - Švec, P. - Růžičková, Z. - Samsonov, M. A. - Bártová, Kateřina - Růžička, A. - Straka, Michal - Dračínský, Martin
Spin-orbit heavy atom on the light atom 1H NMR chemical shifts included through H···I- hydrogen bond.
35th NMR Valtice. Central European NMR Meeting. Brno: Tribun EU, 2022 - (Novotný, J.; Marek, R.). C33. ISBN 9788026317173.
[NMR Valtice. Central European NMR Meeting /35./. 24.04.2022-27.04.2022, Valtice]
Institutional support: RVO:61388963
Keywords : spin-orbit * heavy atom * light atom
OECD category: Physical chemistry
Permanent Link: http://hdl.handle.net/11104/0331202 - 2.0469528 - ÚOCHB 2017 CZ eng A - Abstract
Vícha, J. - Marek, R. - Straka, Michal
Giant 13C and 29Si NMR chemical shifts inTlI and PbII compounds.
31st NMR Valtice. Central European NMR meeting. Valtice: Stuare, 2016 - (Novotný, J.; Marek, R.). C5. ISBN 978-80-86441-47-4.
[NMR Valtice. Central European NMR meeting /31./. 24.04.2016-27.04.2016, Valtice]
R&D Projects: GA ČR(CZ) GA14-03564S
Institutional support: RVO:61388963
Keywords : high-frequency 13C and 29Si NMR chemical shifts * subvalent TlI and PbII compounds
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0267309 - 3.0468438 - ÚOCHB 2017 CZ eng A - Abstract
Straka, Michal - Foroutan-Nejad, C. - Andrushchenko, Valery
Endohedral molecular switch. Manipulating dipolar molecules inside C70 by external electric field.
NANOCON 2016. 8th International Conference on Nanomaterials - Research and Application. Ostrava: TANGER, 2016. s. 35. ISBN 978-80-87294-68-0.
[NANOCON 2016. International Conference on Nanomaterials - Research and Application /8./. 19.10.2016-21.10.2016, Brno]
Institutional support: RVO:61388963
Keywords : electric-field driven single-molecule switch * endohedral fullerene * density functional study * magnetic circular dichroism
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0266293 - 4.0468375 - ÚOCHB 2017 PL eng A - Abstract
Vícha, J. - Marek, R. - Straka, Michal
High-frequency 13C and 29Si NMR chemical shifts in subvalent TlI and PbII compounds.
9th Symposium on: Nuclear Magnetic Resonance in Chemistry, Physics and Biological Sciences. Warsaw: Institute of Organic Chemistry Polish Academy of Sciences, 2016. L6.
[Symposium on: Nuclear Magnetic Resonance in Chemistry, Physics and Biological Sciences /9./. 28.09.2016-30.09.2016, Warsaw]
R&D Projects: GA ČR(CZ) GA14-03564S
Institutional support: RVO:61388963
Keywords : high-frequency 13C chemical shifts * subvalent TlI and PbII compounds * lead hybrides
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0266243 - 5.0468358 - ÚOCHB 2017 TW eng A - Abstract
Straka, Michal
From fullerene spectroscopy to molecular memory. Highlights from our recent studies.
MMNB 2016. 3rd Polish-Taiwanese Conference. From Molecular Modeling to Nano- and Biotechnology. Taipei: Tatung University, 2016. s. 20.
[MMNB 2016. Polish-Taiwanese Conference. From Molecular Modeling to Nano- and Biotechnology /3./. 26.06.2016-29.06.2016, Taipei]
R&D Projects: GA ČR(CZ) GA14-03564S
Institutional support: RVO:61388963
Keywords : electric-field driven single-molecule switch * endohedral fullerene * density functional study
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0266232 - 6.0457096 - ÚOCHB 2016 IT eng A - Abstract
Šebera, Jakub - Burda, J. V. - Straka, Michal - Ono, A. - Kojima, C. - Tanaka, Y. - Sychrovský, Vladimír
Theoretical study of formation of a T-Hg(II)-T metal-mediated DNA base pair.
TheoBio2015. 7th International Theoretical Biophysics Symposium. Cagliari: -, 2015. P28.
[TheoBio2015. International Theoretical Biophysics Symposium /7./. 08.06.2015-12.06.2015, Cagliari]
R&D Projects: GA ČR GA13-27676S
Institutional support: RVO:61388963
Keywords : T-Hg-T * DFT * reaction pathway
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0257528 - 7.0457074 - ÚOCHB 2016 CZ eng A - Abstract
Straka, Michal
Molecular properties of endohedral fullerenes.
Modeling Interactions in Biomolecules 7th. Praha: MATFYZPRESS, 2015 - (Burda, J.). s. 79. ISBN 978-80-7378-303-7.
[Modeling Interactions in Biomolecules /7./. 14.09.2015-18.09.2015, Praha]
R&D Projects: GA ČR(CZ) GA14-03564S
Institutional support: RVO:61388963
Keywords : endohedral fullerenes * molecular properties * nuclear circular dichroism
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0257516 - 8.0446247 - ÚOCHB 2016 CZ eng A - Abstract
Straka, Michal
Nuclear spin circular dichroism in fullerenes.
EUROMAR 2015. Programme and Abstract Book. Brno: Masaryk University Press, 2015 - (Sklenář, V.). s. 153. ISBN 978-80-210-7890-1.
[EUROMAR 2015. 05.07.2015-10.07.2015, Praha]
R&D Projects: GA ČR(CZ) GA14-03564S
Institutional support: RVO:61388963
Keywords : nuclear spin circular dichroism * fullerenes
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0248237 - 9.0435398 - ÚOCHB 2015 CL eng A - Abstract
Foroutan-Nejad, C. - Patzschke, M. - Straka, Michal
Unveiling the unwilling bonding in U2@C80: Endohedral fullerene with a double 1e-2c U-U bonds.
WATOC 2014. 10th Congress of the World Association of Theoretical and Computational Chemists. Santiago: -, 2014. PP294.
[WATOC 2014. Congress of the World Association of Theoretical and Computational Chemists /10./. 05.10.2014-10.10.2014, Santiago]
R&D Projects: GA ČR(CZ) GA14-03564S
Grant - others:European Social Fund(XE) CZ.1.07/2.3.00/30.009
Institutional support: RVO:61388963
Keywords : endohedral actinide fullerene * U-U bonding * actinide-actinide bonding
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0239562 - 10.0432691 - ÚOCHB 2015 SK eng A - Abstract
Foroutan-Nejad, C. - Patzschke, M. - Straka, Michal
U2@C80: Endohedral fullerene with unwilling U-U bonding.
REHE - 2014. 11th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics. Smolenice: Institute of Inorganic Chemistry SAS, 2014. s. 85. ISBN 978-80-971648-1-2.
[REHE - 2014. International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics /11./. 20.09.2014-24.09.2014, Smolenice]
R&D Projects: GA ČR(CZ) GA14-03564S
Grant - others:European Social Fund(XE) CZ.1.07/2.3.00/30.009
Institutional support: RVO:61388963
Keywords : endohedral actinide fullerene * U-U bonding * actinide-actinide bonding
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0237073