Showing 1 - 9 results of 9 for search 'Ol'ha O. Brovarets'', query time: 0.03s Refine Results
  1. 1
    Surprising Conformers of the Biologically Important A·T DNA Base Pairs: QM/QTAIM Proofs

    Surprising Conformers of the Biologically Important A·T DNA Base Pairs: QM/QTAIM Proofs by Ol'ha O. Brovarets', Ol'ha O. Brovarets', Kostiantyn S. Tsiupa, Dmytro M. Hovorun, Dmytro M. Hovorun

    Published 2018-02-01
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  2. 2
    Intramolecular tautomerization of the quercetin molecule due to the proton transfer: QM computational study.

    Intramolecular tautomerization of the quercetin molecule due to the proton transfer: QM computational study. by Ol'ha O Brovarets', Dmytro M Hovorun

    Published 2019-01-01
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  3. 3
    Conformational equilibrium, IR and Raman vibrational spectra of the quercetin molecule in different solvents: A comprehensive quantum-chemical investigation

    Conformational equilibrium, IR and Raman vibrational spectra of the quercetin molecule in different solvents: A comprehensive quantum-chemical investigation by Ol'ha O. Brovarets', Dmytro M. Hovorun

    Published 2021-12-01
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  4. 4
    A Hidden Side of the Conformational Mobility of the Quercetin Molecule Caused by the Rotations of the O3H, O5H and O7H Hydroxyl Groups: <i>In Silico</i> Scrupulous Study

    A Hidden Side of the Conformational Mobility of the Quercetin Molecule Caused by the Rotations of the O3H, O5H and O7H Hydroxyl Groups: <i>In Silico</i> Scrupulous Study by Ol’ha O. Brovarets’, Dmytro M. Hovorun

    Published 2020-02-01
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  5. 5
    Quantum dancing of the wobble G•T(U/5BrU) nucleobase pairs and its biological roles

    Quantum dancing of the wobble G•T(U/5BrU) nucleobase pairs and its biological roles by Ol’ha O. Brovarets, Dmytro M. Hovorun

    Published 2020-12-01
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  6. 6
    A Never-Ending Conformational Story of the Quercetin Molecule: Quantum-Mechanical Investigation of the O3′H and O4′H Hydroxyl Groups Rotations

    A Never-Ending Conformational Story of the Quercetin Molecule: Quantum-Mechanical Investigation of the O3′H and O4′H Hydroxyl Groups Rotations by Ol’ha O. Brovarets’, Dmytro M. Hovorun

    Published 2020-02-01
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  7. 7
    Novel Tautomerisation Mechanisms of the Biologically Important Conformers of the Reverse Löwdin, Hoogsteen, and Reverse Hoogsteen G*·C* DNA Base Pairs via Proton Transfer: A Quantum-Mechanical Survey

    Novel Tautomerisation Mechanisms of the Biologically Important Conformers of the Reverse Löwdin, Hoogsteen, and Reverse Hoogsteen G*·C* DNA Base Pairs via Proton Transfer: A Quantu... by Ol'ha O. Brovarets', Ol'ha O. Brovarets', Timothy A. Oliynyk, Dmytro M. Hovorun, Dmytro M. Hovorun, Dmytro M. Hovorun

    Published 2019-09-01
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  8. 8
    Novel pathway for mutagenic tautomerization of classical А∙Т DNA base pairs via sequential proton transfer through quasi-orthogonal transition states: A QM/QTAIM investigation.

    Novel pathway for mutagenic tautomerization of classical А∙Т DNA base pairs via sequential proton transfer through quasi-orthogonal transition states: A QM/QTAIM investigation. by Ol'ha O Brovarets', Kostiantyn S Tsiupa, Dmytro M Hovorun

    Published 2018-01-01
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  9. 9
    A Quantum-Mechanical Looking Behind the Scene of the Classic G·C Nucleobase Pairs Tautomerization

    A Quantum-Mechanical Looking Behind the Scene of the Classic G·C Nucleobase Pairs Tautomerization by Ol'ha O. Brovarets', Alona Muradova, Dmytro M. Hovorun, Dmytro M. Hovorun

    Published 2020-11-01
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