Search results
- 1.0576140 - 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 - 2.0573772 - 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 - 3.0345980 - ÚOCHB 2011 RIV US eng J - Journal Article
Hudecová, J. - Kapitán, Josef - Baumruk, V. - Hammer, R. P. - Keiderling, T. A. - Bouř, Petr
Side Chain and Flexibility Contributions to the Raman Optical Activity Spectra of a Model Cyclic Hexapeptide.
Journal of Physical Chemistry A. Roč. 114, č. 28 (2010), s. 7642-7651. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA400550702
Grant - others:GA UK(CZ) 126310
Institutional research plan: CEZ:AV0Z40550506
Keywords : Raman optical activity * ab initio * side chain * flexibility * peptide
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.732, year: 2010
Permanent Link: http://hdl.handle.net/11104/0005964