Search results
- 1.0581513 - ÚOCHB 2024 RIV CZ cze J - Journal Article
Bouř, Petr
Rozmanitost spektroskopie Ramanovy optické aktivity.
[Variability of the Raman Optical Activity Spectroscopy.]
Chemické listy. Roč. 117, č. 12 (2023), s. 722-731. ISSN 0009-2770. E-ISSN 1213-7103
Institutional support: RVO:61388963
Keywords : Raman optical activity * resonance * circularly-polarized luminescence * spectra simulations
OECD category: Physical chemistry
Impact factor: 0.6, year: 2022
Method of publishing: Open access
https://doi.org/10.54779/chl20230722
Permanent Link: https://hdl.handle.net/11104/0349682 - 2.0580544 - ÚOCHB 2025 RIV US eng J - Journal Article
Wu, Tao - Bouř, Petr - Fujisawa, T. - Unno, M.
Molecular Vibrations in Chiral Europium Complexes Revealed by Near-Infrared Raman Optical Activity.
Advanced Science. Roč. 11, č. 1 (2024), č. článku 2305521. E-ISSN 2198-3844
R&D Projects: GA ČR(CZ) GA23-05378S; GA ČR(CZ) GA22-04669S; GA MŠMT(CZ) EF18_053/0016940
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : chiral lanthanide complexes * circularly polarized luminescence * density functional theory * Raman optical activity * spectra simulations
OECD category: Physical chemistry
Impact factor: 15.1, year: 2022
Method of publishing: Open access
https://doi.org/10.1002/advs.202305521
Permanent Link: https://hdl.handle.net/11104/0349302 - 3.0524973 - ÚOCHB 2021 RIV GB eng M - Monography Chapter
Hudecová, Jana - Bouř, Petr
Interpretation of vibrational optical activity spectra of proteins.
Vibrational Spectroscopy in Protein Research: From Purified Proteins to Aggregates and Assemblies. London: Academic Press, 2020 - (Ozaki, Y.; Baranska, M.; Lednev, I.; Wood, B.), s. 219-248. ISBN 978-0-12-818610-7
R&D Projects: GA ČR(CZ) GA18-05770S; GA MŠMT(CZ) LTC17012; GA MŠMT(CZ) EF16_019/0000729
Institutional support: RVO:61388963
Keywords : vibrational optical activity * spectra simulations * proteins
OECD category: Biophysics
Permanent Link: http://hdl.handle.net/11104/0309186 - 4.0523312 - ÚOCHB 2021 RIV US eng J - Journal Article
Plamitzer, Luboš - Bouř, Petr
Pressure dependence of vibrational optical activity of model biomolecules. A computational study.
Chirality. Roč. 32, č. 5 (2020), s. 710-721. ISSN 0899-0042. E-ISSN 1520-636X
R&D Projects: GA ČR(CZ) GA18-05770S; GA MŠMT(CZ) LTC17012; GA MŠMT(CZ) EF16_019/0000729
Institutional support: RVO:61388963
Keywords : density functional theory * high pressure * molecular dynamics * spectra simulations * vibrational optical activity
OECD category: Physical chemistry
Impact factor: 2.437, year: 2020
Method of publishing: Limited access
https://onlinelibrary.wiley.com/doi/full/10.1002/chir.23216
Permanent Link: http://hdl.handle.net/11104/0307674 - 5.0452156 - 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 - 6.0448651 - ÚOCHB 2016 DE eng A - Abstract
Andrushchenko, Valery - Bouř, Petr
Multi-level modeling of vibrational spectra of the phosphate group.
16th European Conference on the Spectroscopy of Biological Molecules. Bochum: Ruhr-University Bochum, 2015. s. 86.
[European Conference on the Spectroscopy of Biological Molecules /16./. 06.09.2015-10.09.2015, Bochum]
R&D Projects: GA ČR GA13-03978S; GA ČR GA15-09072S
Grant - others:GA AV ČR(CZ) M200550902
Institutional support: RVO:61388963
Keywords : DNA phosphate group * vibrational spectroscopy * multi-level spectra simulations * MD/DFT
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0250286 - 7.0448291 - ÚOCHB 2016 RIV US eng J - Journal Article
Andrushchenko, Valery - Benda, Ladislav - Páv, Ondřej - Dračínský, Martin - Bouř, Petr
Vibrational Properties of the Phosphate Group Investigated by Molecular Dynamics and Density Functional Theory.
Journal of Physical Chemistry B. Roč. 119, č. 33 (2015), s. 10682-10692. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GA13-26526S; GA ČR GAP208/11/0105; GA ČR GA13-03978S; GA ČR GA15-09072S
Grant - others:GA AV ČR(CZ) M200550902; GA MŠk(CZ) LM2010005; GA MŠk(CZ) ED3.2.00/08.0144
Institutional support: RVO:61388963
Keywords : DNA phosphate group * vibrational spectroscopy * spectra simulations * MD/DFT
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.187, year: 2015
Permanent Link: http://hdl.handle.net/11104/0250030 - 8.0376811 - ÚOCHB 2013 RIV US eng M - Monography Chapter
Polyanichko, A. M. - Andrushchenko, Valery - Bouř, Petr - Wieser, H.
Vibrational Circular Dichroism Studies of Biological Macromolecules and their Complexes.
Circular Dichroism: Theory and Spectroscopy. Hauppauge, NY: Nova Science Publishers, Inc, 2012 - (Rodgers, D.), s. 67-126. ISBN 978-1-61122-522-8
R&D Projects: GA ČR GAP208/10/0559; GA AV ČR IAA400550702
Grant - others:AV ČR(CZ) M200550902
Institutional research plan: CEZ:AV0Z40550506
Keywords : vibrational circular dichroism (VCD) * proteins * nucleic acids * peptides * spectra simulations
Subject RIV: CF - Physical ; Theoretical Chemistry
https://www.novapublishers.com/catalog/product_info.php?products_id=32793
Permanent Link: http://hdl.handle.net/11104/0209121 - 9.0376366 - ÚOCHB 2013 RIV US eng J - Journal Article
Štěpánek, Petr - Andrushchenko, Valery - Ruud, K. - Bouř, Petr
Porphyrin Protonation Studied by Magnetic Circular Dichroism.
Journal of Physical Chemistry A. Roč. 116, č. 1 (2012), s. 778-783. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA ČR GAP208/11/0105; GA ČR GA203/09/2037; GA ČR GAP208/10/0559; GA MŠMT(CZ) LH11033
Institutional research plan: CEZ:AV0Z40550506
Keywords : magnetic circular dichroism (MCD) * TPPS * spectra simulations * porphyrin protonation
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.771, year: 2012
Permanent Link: http://hdl.handle.net/11104/0006955 - 10.0374492 - ÚOCHB 2012 PT eng A - Abstract
Andrushchenko, Valery - Pohle, W. - Gauger, D. R. - Bouř, Petr
Supramolecular structure of diolein and stearyl alcohol characterised by IR spectroscopy and theoretical modeling.
14th European Conference on the Spectroscopy of Biological Molecules. Coimbra: -, 2011.
[European Conference on the Spectroscopy of Biological Molecules /14./. 29.08.2011-03.09.2011, Coimbra]
R&D Projects: GA ČR GAP208/10/0559; GA ČR GAP208/11/0105; GA MŠMT(CZ) LH11033
Grant - others:AV ČR(CZ) M200550902
Institutional research plan: CEZ:AV0Z40550506
Keywords : amphiphiles * supramolecular assemblies * IR spectroscopy * quantum chemistry spectra simulations * molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0207401