Malkina OL - Search Results

1

A Study of Through-Space and Through-Bond J_PP Coupling in a Rigid Nonsymmetrical Bis(phosphine) and Its Metal Complexes.

Chalmers BA, Nejman PS, Llewellyn AV, Felaar AM, Griffiths BL, Portman EI, Gordon EL, Fan KJH, Woollins JD, Bühl M, Malkina OL, Cordes DB, Slawin AMZ, Kilian P. Chalmers BA, et al. Among authors: malkina ol. Inorg Chem. 2018 Mar 19;57(6):3387-3398. doi: 10.1021/acs.inorgchem.8b00162. Epub 2018 Mar 8. Inorg Chem. 2018. PMID: 29517228

2

Weak Te,Te interactions through the looking glass of NMR spin-spin coupling.

Bühl M, Knight FR, Křístková A, Malkin Ondík I, Malkina OL, Randall RA, Slawin AM, Woollins JD. Bühl M, et al. Among authors: malkina ol. Angew Chem Int Ed Engl. 2013 Feb 25;52(9):2495-8. doi: 10.1002/anie.201205998. Epub 2013 Jan 23. Angew Chem Int Ed Engl. 2013. PMID: 23345140 Free PMC article.

3

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

Malkina OL, Lemken F, Asher JR, Hierso JC, Bűhl M, Malkin VG. Malkina OL, et al. Phys Chem Chem Phys. 2022 Oct 12;24(39):24039-24049. doi: 10.1039/d2cp03295c. Phys Chem Chem Phys. 2022. PMID: 36168793

4

Indirect nuclear 15N-15N scalar coupling through a hydrogen bond: dependence on structural parameters studied by quantum chemistry tools.

Křístková A, Asher JR, Malkin VG, Malkina OL. Křístková A, et al. Among authors: malkina ol. J Phys Chem A. 2013 Sep 26;117(38):9235-44. doi: 10.1021/jp404650b. Epub 2013 Sep 16. J Phys Chem A. 2013. PMID: 23987730

5

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

Wodyński A, Malkina OL, Pecul M. Wodyński A, et al. Among authors: malkina ol. J Phys Chem A. 2016 Jul 21;120(28):5624-34. doi: 10.1021/acs.jpca.5b10258. Epub 2016 Jul 5. J Phys Chem A. 2016. PMID: 27177252

6

Visualization of Electron Paramagnetic Resonance Hyperfine Structure Coupling Pathways.

Malkin VG, Malkina OL, Zhidomirov GM. Malkin VG, et al. Among authors: malkina ol. J Phys Chem A. 2017 May 11;121(18):3580-3587. doi: 10.1021/acs.jpca.7b01833. Epub 2017 Apr 27. J Phys Chem A. 2017. PMID: 28410441

7

Dihydrogen contacts observed by through-space indirect NMR coupling.

Dračínský M, Buchta M, Buděšínský M, Vacek-Chocholoušová J, Stará IG, Starý I, Malkina OL. Dračínský M, et al. Among authors: malkina ol. Chem Sci. 2018 Aug 13;9(38):7437-7446. doi: 10.1039/c8sc02859a. eCollection 2018 Oct 14. Chem Sci. 2018. PMID: 30319744 Free PMC article.

8

Distinguishing "Through-Space" from "Through-Bonds" Contribution in Indirect Nuclear Spin-Spin Coupling: General Approaches Applied to Complex J_PP and J_PSe Scalar Couplings.

Malkina OL, Hierso JC, Malkin VG. Malkina OL, et al. J Am Chem Soc. 2022 Jun 22;144(24):10768-10784. doi: 10.1021/jacs.2c01637. Epub 2022 Jun 10. J Am Chem Soc. 2022. PMID: 35687121

9

Illumination of the effect of the overlap of lone-pairs on indirect nuclear spin-spin coupling constants.

Malkina OL, Křístková A, Malkin E, Komorovský S, Malkin VG. Malkina OL, et al. Phys Chem Chem Phys. 2011 Sep 21;13(35):16015-21. doi: 10.1039/c1cp21422e. Epub 2011 Aug 8. Phys Chem Chem Phys. 2011. PMID: 21826305

10

Implementation of the diagonalization-free algorithm in the self-consistent field procedure within the four-component relativistic scheme.

Hrdá M, Kulich T, Repiský M, Noga J, Malkina OL, Malkin VG. Hrdá M, et al. Among authors: malkina ol. J Comput Chem. 2014 Sep 5;35(23):1725-37. doi: 10.1002/jcc.23674. Epub 2014 Jul 4. J Comput Chem. 2014. PMID: 24995728

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