Search results
- 1.0471826 - ÚOCHB 2017 HU eng A - Abstract
Andrushchenko, Valery - Wu, Tao - Bouř, Petr
Supramolecular chirality and chirality transfer.
EUCMOS 2016. 33rd European Congress on Molecular Spectroscopy. Budapest: Hungarian Chemical Society, 2016 - (Androsits, B.). s. 71. ISBN 978-963-9970-68-7.
[EUCMOS 2016. European Congress on Molecular Spectroscopy /33./. 30.07.2016-04.08.2016, Szeged]
R&D Projects: GA ČR(CZ) GA16-04902S; GA ČR(CZ) GJ16-08764Y; GA ČR(CZ) GA14-03564S; GA ČR GA15-09072S
Institutional support: RVO:61388963
Keywords : DNA condensation * supramolecular chirality * lanthanides * circularly polarised luminescence * circularly polarised microscopy
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0269233 - 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 - 3.0468375 - 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 - 4.0468358 - 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 - 5.0457074 - 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 - 6.0452156 - ÚOCHB 2016 TR eng A - Abstract
Andrushchenko, Valery - Bouř, Petr
Accounting for environment and dynamics in modeling of vibrational spectra in condensed phase.
TURCMOS 2015. 2nd International Turkish Congress on Molecular Spectroscopy. Antalya: -, 2015. s. 46.
[TURCMOS 2015. International Turkish Congress on Molecular Spectroscopy /2./. 13.09.2015-18.09.2015, Antalya]
R&D Projects: GA ČR(CZ) GA14-03564S
Institutional support: RVO:61388963
Keywords : vibrational spectra simulations * molecular dynamics * DFT * MD/DFT
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0253175 - 7.0446247 - 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 - 8.0438120 - ÚOCHB 2015 DE eng A - Abstract
Andrushchenko, Valery - Benda, Ladislav - Bouř, Petr
Improving the Precision of Ab Initio Spectra Modeling by Employing Molecular Dynamics Simulations.
EUCMOS 2014. 32th European Congress on Molecular Spectroscopy. Düsseldorf: Heinrich Heine Universität Düsseldorf, 2014 - (Schmitt, M.). s. 103
[EUCMOS 2014. European Congress on Molecular Spectroscopy /32./. 24.08.2014-29.08.2014, Düsseldorf]
R&D Projects: GA ČR(CZ) GA14-03564S
Grant - others:AV ČR(CZ) M200550902
Institutional support: RVO:61388963
Keywords : multi-scale spectra modeling * quantum chemistry * molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0241605 - 9.0438114 - ÚOCHB 2015 PL eng A - Abstract
Andrushchenko, Valery - Bouř, Petr
Accurate modeling of molecular optical properties by a combination of molecular dynamics and quantum chemistry.
7th Central Europe Conference. Chemistry towards Biology. Katowice: University of Silesia, 2014. O6.
[Chemistry towards Biology. Central Europe Conference /7./. 09.09.2014-12.09.2014, Katowice]
R&D Projects: GA ČR(CZ) GA14-03564S
Grant - others:AV ČR(CZ) M200550902
Institutional support: RVO:61388963
Keywords : molecular dynamics * quantum chemistry * multi-scale spectra
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0241613 - 10.0435398 - 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