Search results
- 1.0585610 - ÚOCHB 2025 RIV DE eng J - Journal Article
Halat, M. - Zajac, G. - Andrushchenko, Valery - Bouř, Petr - Baranski, R. - Pajor, K. - Baranska, M.
Induced Chirality in Canthaxanthin Aggregates Reveals Multiple Levels of Supramolecular Organization.
Angewandte Chemie - International Edition. (2024). ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA ČR(CZ) GA22-04669S
Research Infrastructure: e-INFRA CZ II - 90254
Institutional support: RVO:61388963
Keywords : resonance raman optical activity * circular dichroism * density functional theory * chirality induction * canthaxanthin * heparin * hyaluronic acid
Impact factor: 16.6, year: 2022
https://doi.org/10.1002/anie.202402449
Permanent Link: https://hdl.handle.net/11104/0353284 - 2.0585535 - ÚOCHB 2025 RIV NL eng M - Monography Chapter
Andrushchenko, Valery - Kurochka, Andrii - Kubelka, J. - Kaminský, Jakub
Spectroscopic Analysis: Calculations of Chiroptical Spectra.
Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. Amsterdam: Elsevier, 2022, s. 1-34. ISBN 978-0-12-409547-2
Institutional support: RVO:61388963
Keywords : chiroptical spectroscopy * computational chemistry * density functional theory * electronic circular dichroism * magnetic circular dichroism * magnetic vibrational circular dichroism * optical activity * optical rotation
OECD category: Physical chemistry
https://doi.org/10.1016/B978-0-32-390644-9.00074-3
Permanent Link: https://hdl.handle.net/11104/0353236 - 3.0585533 - ÚOCHB 2025 RIV GB eng J - Journal Article
Kreienborg, N. M. - Yang, Qin - Pollok, C. H. - Bloino, J. - Merten, C.
Matrix-isolation and cryosolution-VCD spectra of α-pinene as benchmark for anharmonic vibrational spectra calculations.
Physical Chemistry Chemical Physics. Roč. 25, č. 4 (2023), s. 3343-3353. ISSN 1463-9076. E-ISSN 1463-9084
Institutional support: RVO:61388963
Keywords : Raman optical activity * circular dichroism * propylene oxide
OECD category: Physical chemistry
Impact factor: 3.3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1039/D2CP04782A
Permanent Link: https://hdl.handle.net/11104/0353229 - 4.0581575 - ÚOCHB 2025 RIV GB eng J - Journal Article
Berešová, Marie - Bufka, Jiří - Šafařík, Martin - Bouř, Petr - Šebestík, Jaroslav
Conformations and hydration of halopropionic acids studied by molecular dynamics and Raman optical activity.
Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. Roč. 309, March (2024), č. článku 123852. ISSN 1386-1425. E-ISSN 1873-3557
R&D Projects: GA ČR(CZ) GA22-04669S
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : chiral halocompounds * raman optical activity (ROA) * density functional theory (DFT) * solvation effects
Impact factor: 4.4, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.saa.2024.123852
Permanent Link: https://hdl.handle.net/11104/0349676 - 5.0581513 - 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 - 6.0580544 - 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
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 - 7.0576140 - ÚOCHB 2024 RIV DE eng J - Journal Article
Yang, Qin - Bloino, J. - Šestáková, Hana - Šebestík, Jaroslav - Kessler, Jiří - Hudecová, J. - Kapitán, J. - Bouř, Petr
Combination of Resonance and Non-Resonance Chiral Raman Scattering in a Cobalt(III) Complex.
Angewandte Chemie - International Edition. Roč. 62, č. 45 (2023), č. článku e202312521. ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA ČR(CZ) GA22-04669S
Institutional support: RVO:61388963
Keywords : density functional theory * metal complexes * Raman optical activity * resonance * vibronic theory
OECD category: Physical chemistry
Impact factor: 16.6, year: 2022
Method of publishing: Open access
https://doi.org/10.1002/anie.202312521
Permanent Link: https://hdl.handle.net/11104/0345732 - 8.0575450 - ÚOCHB 2024 RIV US eng J - Journal Article
Wu, Tao - Pelc, Radek - Bouř, Petr
Molecular Properties of 3d and 4fCoordination Compounds Deciphered by Raman Optical Activity Spectroscopy.
ChemPlusChem. Roč. 88, č. 9 (2023), č. článku e302300385. ISSN 2192-6506. E-ISSN 2192-6506
R&D Projects: GA ČR(CZ) GA23-05378S; GA ČR(CZ) GA22-04669S
Institutional support: RVO:61388963
Keywords : circular dichroism * circularly polarized luminescence * coordination compounds * molecular chirality * Raman optical activity
OECD category: Physical chemistry
Impact factor: 3.4, year: 2022
Method of publishing: Open access
https://doi.org/10.1002/cplu.202300385
Permanent Link: https://hdl.handle.net/11104/0345236 - 9.0573984 - ÚOCHB 2024 RIV US eng J - Journal Article
Zdráhala, Jiří - Bouř, Petr
Rotational circular dichroism of diamagnetic and paramagnetic molecules. A computational study.
Journal of Chemical Physics. Roč. 159, č. 2 (2023), č. článku 024115. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GA22-33060S
Institutional support: RVO:61388963
Keywords : Raman optical activity * semiclassical theory * microwave frequencies
OECD category: Physical chemistry
Impact factor: 4.4, year: 2022
Method of publishing: Limited access
https://doi.org/10.1063/5.0156273
Permanent Link: https://hdl.handle.net/11104/0344361 - 10.0573772 - ÚOCHB 2024 RIV US eng J - Journal Article
Das, Moumita - Gangopadhyay, Debraj - Hudecová, J. - Kessler, Jiří - Kapitán, J. - Bouř, Petr
Monitoring Conformation and Protonation States of Glutathione by Raman Optical Activity and Molecular Dynamics.
ChemPlusChem. Roč. 88, č. 11 (2023), č. článku e202300219. ISSN 2192-6506. E-ISSN 2192-6506
R&D Projects: GA ČR(CZ) GA22-04669S
Research Infrastructure: e-INFRA CZ II - 90254
Institutional support: RVO:61388963
Keywords : density functional theory * glutathione * molecular dynamics * Raman optical activity * spectra modeling
OECD category: Physical chemistry
Impact factor: 3.4, year: 2022
Method of publishing: Open access
https://doi.org/10.1002/cplu.202300219
Permanent Link: https://hdl.handle.net/11104/0344134