Search results

  1. 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. 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. 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
     
     


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