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ResearcherID: N-4956-2016

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Employment (1)

Institute of Inorganic Chemistry SAS: Bratislava, SK

2006-05-01 to present | Leading research scientist (Theoretical Chemistry)
Employment
Source: Self-asserted source
Olga Malkina

Works (12)

Investigation of the effect of solvation on 1J(Metal–P) spin–spin coupling

Physical Chemistry Chemical Physics
2025 | Journal article
DOI: 10.1039/D4CP04594G
Contributors: Olga L. Malkina; Michael Bűhl; Brian A. Chalmers; S. Komorovsky
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Phosphine and Selenoether <i>peri</i>-Substituted Acenaphthenes and Their Transition-Metal Complexes: Structural and NMR Investigations

Inorganic Chemistry
2023-10-02 | Journal article
DOI: 10.1021/acs.inorgchem.3c02255
Part of ISSN: 0020-1669
Part of ISSN: 1520-510X
Contributors: 0000-0003-2446-1314; Francesca A. Christie; Anna E. Tarcza; Helena G. Lancaster; Laurence Taylor; Michael Buehl; Olga L. Malkina; J. Derek Woollins; Cameron L. Carpenter-Warren; David B. Cordes et al.
Source: Self-asserted source
Olga Malkina

Transmission of spin-polarization by π-orbitals: an approach to assessing its effect on NMR spin–spin coupling and EPR hyperfine structure

Physical Chemistry Chemical Physics
2022 | Journal article
DOI: 10.1039/D2CP03295C
Contributors: Olga L. Malkina; Florian Lemken; James R. Asher; Jean-Cyrille Hierso; Michael Bűhl; Vladimir G. Malkin
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The four-component DFT method for the calculation of the EPR g-tensor using a restricted magnetically balanced basis and London atomic orbitals

The Journal of Chemical Physics
2022-10-28 | Journal article
DOI: 10.1063/5.0103928
Contributors: Debora Misenkova; Florian Lemken; Michal Repisky; Jozef Noga; Olga L. Malkina; Stanislav Komorovsky
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Crossref

ReSpect: Relativistic spectroscopy DFT program package

The Journal of Chemical Physics
2020-05-14 | Journal article
DOI: 10.1063/5.0005094
Contributors: Michal Repisky; Stanislav Komorovsky; Marius Kadek; Lukas Konecny; Ulf Ekström; Elena Malkin; Martin Kaupp; Kenneth Ruud; Olga L. Malkina; Vladimir G. Malkin
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Crossref

Dihydrogen contacts observed by through-space indirect NMR coupling

Chemical Science
2018 | Journal article
DOI: 10.1039/C8SC02859A
Contributors: Martin Dračínský; Michal Buchta; Miloš Buděšínský; Jana Vacek-Chocholoušová; Irena G. Stará; Ivo Starý; Olga L. Malkina
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Energy anisotropy as a function of the direction of spin magnetization for a doublet system

The Journal of Chemical Physics
2016-11-07 | Journal article
DOI: 10.1063/1.4966236
Part of ISSN: 0021-9606
Part of ISSN: 1089-7690
Contributors: Peter J. Cherry; Vladimir G. Malkin; Olga L. Malkina; James R. Asher
Source: Self-asserted source
Olga Malkina

The Relativistic Effects on the Carbon–Carbon Coupling Constants Mediated by a Heavy Atom

The Journal of Physical Chemistry A
2016-07-21 | Journal article
DOI: 10.1021/acs.jpca.5b10258
Part of ISSN: 1089-5639
Part of ISSN: 1520-5215
Contributors: Artur Wodyński; Olga L. Malkina; Magdalena Pecul
Source: Self-asserted source
Olga Malkina

Visualization of the four-component g-tensor density as a three-dimensional function

Chemical Physics Letters
2015-09 | Journal article
DOI: 10.1016/j.cplett.2015.07.002
Part of ISSN: 0009-2614
Contributors: James R. Asher; Vladimir G. Malkin; Olga L. Malkina
Source: Self-asserted source
Olga Malkina

Relativistic four-component calculations of indirect nuclear spin-spin couplings with efficient evaluation of the exchange-correlation response kernel

The Journal of Chemical Physics
2015-03-21 | Journal article
DOI: 10.1063/1.4913639
Part of ISSN: 0021-9606
Part of ISSN: 1089-7690
Contributors: Anežka Křístková; Stanislav Komorovsky; Michal Repisky; Vladimir G. Malkin; Olga L. Malkina
Source: Self-asserted source
Olga Malkina

Excitation Energies from Real-Time Propagation of the Four-Component Dirac–Kohn–Sham Equation

Journal of Chemical Theory and Computation
2015-03-10 | Journal article
DOI: 10.1021/ct501078d
Part of ISSN: 1549-9618
Part of ISSN: 1549-9626
Contributors: Michal Repisky; Lukas Konecny; Marius Kadek; Stanislav Komorovsky; Olga L. Malkin; Vladimir G. Malkin; Kenneth Ruud
Source: Self-asserted source
Olga Malkina

NMR and DFT Analysis of Trisaccharide from Heparin Repeating Sequence

The Journal of Physical Chemistry B
2014-10-16 | Journal article
DOI: 10.1021/jp508045n
Part of ISSN: 1520-6106
Part of ISSN: 1520-5207
Contributors: Miloš Hricovíni; Pierre-Alexandre Driguez; Olga L. Malkina
Source: Self-asserted source
Olga Malkina

Peer review (1 review for 1 publication/grant)

Review activity for Journal of chemical physics. (1)
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