Search results
- 1.0586978 - ÚOCHB 2025 RIV GB eng J - Journal Article
Krupová, Monika - Leszczenko, Patrycja - Sierka, Ewa - Hamplová, Sára Emma - Klepetářová, Blanka - Pelc, Radek - Andrushchenko, Valery
Vibrational circular dichroism of adenosine crystals.
Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. Roč. 319, October (2024), s. 124381. ISSN 1386-1425. E-ISSN 1873-3557
R&D Projects: GA MŠMT(CZ) EF16_019/0000729; GA ČR(CZ) GA24-10558S; GA ČR(CZ) GA20-10144S
Research Infrastructure: e-INFRA CZ II - 90254
Institutional support: RVO:61388963
Keywords : chiroptical spectroscopy * vibrational circular dichroism (VCD) * solid-state VCD (SD-VCD) * vibrational spectroscopy * enhanced VCD * supramolecular chirality * supramolecular VCD * VCD artifacts * crystal * nucleosides * adenosine
Impact factor: 4.4, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.saa.2024.124381
Permanent Link: https://hdl.handle.net/11104/0354301 - 2.0586380 - ÚOCHB 2025 RIV GB eng J - Journal Article
Sklenář, Adam - Růžičková, Lucie - Schrenková, Věra - Bednárová, Lucie - Pazderková, Markéta - Chatziadi, A. - Zmeškalová Skořepová, Eliška - Šoóš, M. - Kaminský, Jakub
Solid-state vibrational circular dichroism for pharmaceutical applications: Polymorphs and cocrystal of sofosbuvir.
Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. Roč. 318, October (2024), č. článku 124478. ISSN 1386-1425. E-ISSN 1873-3557
R&D Projects: GA MŠMT LTAUSA18085; GA MŠMT(CZ) EF16_019/0000729; GA ČR(CZ) GA24-10558S
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963 ; RVO:68378271
Keywords : vibrational circular dichroism * solid-state * amino acids * hydroxy acids * sofosbuvir * polymorphs
OECD category: Condensed matter physics (including formerly solid state physics, supercond.) (FZU-D)
Impact factor: 4.4, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.saa.2024.124478
Permanent Link: https://hdl.handle.net/11104/0353923 - 3.0585535 - ÚOCHB 2025 RIV NL eng M - Monography Chapter
Andrushchenko, Valery - Kurochka, Andrii - Kubelka, J. - Kaminský, Jakub
Spectroscopic Analysis: Calculations of Chiroptical Spectra.
Comprehensive Chirality. 2nd edition. Vol. 10. Amsterdam: Elsevier, 2024 - (Cossy, J.), s. 526-559. ISBN 978-0-323-90645-6
R&D Projects: GA MŠMT LTAUSA18085
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 - 4.0582939 - ÚOCHB 2025 RIV GB eng J - Journal Article
Fusé, M. - Mazzeo, G. - Longhi, G. - Abbate, S. - Yang, Qin - Bloino, J.
Scaling-up VPT2: A feasible route to include anharmonic correction on large molecules.
Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. Roč. 311, April (2024), č. článku 123969. ISSN 1386-1425. E-ISSN 1873-3557
Institutional support: RVO:61388963
Keywords : vibrational circular dichroism (VCD) A * anharmonicity * second-order vibrational perturbative theory * (VPT2) * reduced-dimensionality * ruthenium complexes
Impact factor: 4.4, year: 2022
Method of publishing: Open access
https://doi.org/10.1016/j.saa.2024.123969
Permanent Link: https://hdl.handle.net/11104/0350985 - 5.0580275 - ÚOCHB 2025 RIV GB eng J - Journal Article
Osifová, Zuzana - Kalvoda, Tadeáš - Galgonek, Jakub - Culka, Martin - Vondrášek, Jiří - Bouř, Petr - Bednárová, Lucie - Andrushchenko, Valery - Dračínský, Martin - Rulíšek, Lubomír
What are the minimal folding seeds in proteins? Experimental and theoretical assessment of secondary structure propensities of small peptide fragments.
Chemical Science. Roč. 15, č. 2 (2024), s. 594-608. ISSN 2041-6520. E-ISSN 2041-6539
R&D Projects: GA ČR(CZ) GA23-05940S; GA ČR(CZ) GA22-33060S
Research Infrastructure: e-INFRA CZ II - 90254
Institutional support: RVO:61388963
Keywords : vibrational circular dichroism * spin coupling constants * conformational propensities
OECD category: Physical chemistry
Impact factor: 8.4, year: 2022
Method of publishing: Open access
https://doi.org/10.1039/D3SC04960D
Permanent Link: https://hdl.handle.net/11104/0349025 - 6.0570656 - ÚOCHB 2024 RIV GB eng J - Journal Article
Schrenková, Věra - Para Kkadan, Mohammed Siddhique - Kessler, Jiří - Kapitán, J. - Bouř, Petr
Molecular dynamics and Raman optical activity spectra reveal nucleotide conformation ratios in solution.
Physical Chemistry Chemical Physics. Roč. 25, č. 11 (2023), s. 8198-8208. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA22-04669S; GA MŠMT(CZ) EF16_019/0000729
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : vibrational circular dichroism * nucleic acids * free energies
OECD category: Physical chemistry
Impact factor: 3.3, year: 2022
Method of publishing: Open access
https://doi.org/10.1039/D2CP05756E
Permanent Link: https://hdl.handle.net/11104/0341979 - 7.0557361 - ÚOCHB 2023 RIV US eng J - Journal Article
Wu, Tao - Kapitán, J. - Bouř, Petr
Resolving Resonant Electronic States in Chiral Metal Complexes by Raman Optical Activity Spectroscopy.
Journal of Physical Chemistry Letters. Roč. 13, č. 17 (2022), s. 3873-3877. ISSN 1948-7185
R&D Projects: GA MŠMT(CZ) EF16_019/0000729; GA ČR(CZ) GA22-04669S
Institutional support: RVO:61388963
Keywords : vibrational circular dichroism * spectra
OECD category: Physical chemistry
Impact factor: 5.7, year: 2022
Method of publishing: Limited access
https://doi.org/10.1021/acs.jpclett.2c00653
Permanent Link: http://hdl.handle.net/11104/0331400
Research data: CCDC - 8.0549139 - ÚOCHB 2022 RIV GB eng J - Journal Article
Yamamoto, S. - Ishiro, S. - Kessler, Jiří - Bouř, Petr
Intense chiral signal from α-helical poly-L-alanine observed in low-frequency Raman optical activity.
Physical Chemistry Chemical Physics. Roč. 23, č. 46 (2021), s. 26501-26509. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA20-10144S; GA MŠMT(CZ) EF16_019/0000729
Institutional support: RVO:61388963
Keywords : vibrational circular dichroism * molecular dynamics clusters * property tensors
OECD category: Physical chemistry
Impact factor: 3.945, year: 2021
Method of publishing: Limited access
https://doi.org/10.1039/D1CP04401J
Permanent Link: http://hdl.handle.net/11104/0325156 - 9.0543207 - ÚOCHB 2022 RIV GB eng J - Journal Article
Das, Moumita - Gangopadhyay, Debraj - Šebestík, Jaroslav - Habartová, L. - Michal, P. - Kapitán, J. - Bouř, Petr
Chiral detection by induced surface-enhanced Raman optical activity.
Chemical Communications. Roč. 57, č. 52 (2021), s. 6388-6391. ISSN 1359-7345. E-ISSN 1364-548X
R&D Projects: GA MŠMT(CZ) EF16_019/0000729; GA ČR(CZ) GA20-10144S
Institutional support: RVO:61388963
Keywords : vibrational circular-dichroism * molecules * scattering
OECD category: Physical chemistry
Impact factor: 6.065, year: 2021
Method of publishing: Open access
https://doi.org/10.1039/D1CC01504D
Permanent Link: http://hdl.handle.net/11104/0320477 - 10.0540887 - ÚOCHB 2022 RIV AT eng J - Journal Article
Niederhafner, Petr - Šafařík, Martin - Neburková, Jitka - Keiderling, T. A. - Bouř, Petr - Šebestík, Jaroslav
Monitoring peptide tyrosine nitration by spectroscopic methods.
Amino Acids. Roč. 53, č. 4 (2021), s. 517-532. ISSN 0939-4451. E-ISSN 1438-2199
R&D Projects: GA ČR(CZ) GA14-00431S; GA ČR(CZ) GA17-00121S; GA ČR(CZ) GA20-10144S; GA MŠMT(CZ) EF16_019/0000729
Institutional support: RVO:61388963
Keywords : nitration * oxidative stress * surface-enhanced Raman spectroscopy (SERS) * vibrational circular dichroism (VCD) * electronic circular dichroism (ECD) * density functional theory (DFT)
OECD category: Physical chemistry
Impact factor: 3.789, year: 2021
Method of publishing: Limited access
https://doi.org/10.1007/s00726-020-02911-7
Permanent Link: http://hdl.handle.net/11104/0318490