Elena Malkin

UiT The Arctic University of Norway — Norway

Physics and Astronomy · Physical Sciences

11h-index579citations15works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(9), Advanced NMR Techniques and Applications(8), Crystallization and Solubility Studies(4), X-ray Diffraction in Crystallography(4), Magnetism in coordination complexes(3)

Publications15 total

ReSpect: Relativistic spectroscopy DFT program package
The Journal of Chemical Physics·2020· 134 citedOpen Access
CCDC 1483242: Experimental Crystal Structure Determination
The Cambridge Structural Database·2017Open Access
CCDC 1483239: Experimental Crystal Structure Determination
The Cambridge Structural Database·2017Open Access
CCDC 1483241: Experimental Crystal Structure Determination
The Cambridge Structural Database·2017Open Access
CCDC 1483240: Experimental Crystal Structure Determination
The Cambridge Structural Database·2017Open Access
Unraveling σ and π Effects on Magnetic Anisotropy in <i>cis</i>‐NiA<sub>4</sub>B<sub>2</sub> Complexes: Magnetization, HF‐HFEPR Studies, First‐Principles Calculations, and Orbital Modeling
Chemistry - A European Journal·2016· 17 cited
Four-Component Relativistic Density-Functional Theory Calculations of Nuclear Spin–Rotation Constants: Relativistic Effects in <i>p</i>-Block Hydrides
Journal of Chemical Theory and Computation·2015· 37 citedOpen Access
Communication: The absolute shielding scales of oxygen and sulfur revisited
The Journal of Chemical Physics·2015· 29 citedOpen Access
NMR shielding and spin–rotation constants in XCO (X = Ni, Pd, Pt) molecules
Molecular Physics·2015· 20 cited
Spin-rotation and NMR shielding constants in HCl
The Journal of Chemical Physics·2013· 29 cited
The Absolute Shielding Constants of Heavy Nuclei: Resolving the Enigma of the <sup>119</sup>Sn Absolute Shielding
The Journal of Physical Chemistry Letters·2013· 70 cited
Effects of finite size nuclei in relativistic four-component calculations of hyperfine structure
The Journal of Chemical Physics·2011· 86 cited
Illumination of the effect of the overlap of lone-pairs on indirect nuclear spin–spin coupling constants
Physical Chemistry Chemical Physics·2011· 16 cited
Relativistic four-component calculations of electronic g-tensors in the matrix Dirac–Kohn–Sham framework
Chemical Physics Letters·2010· 74 cited
Scalar relativistic calculations of hyperfine coupling tensors using the Douglas–Kroll–Hess method with a finite-size nucleus model
Physical Chemistry Chemical Physics·2006· 67 cited

Frequent Co-authors

Stanislav Komorovský(9), Michal Repiský(7), Kenneth Ruud(6), Olga L. Malkina(5), Vladimir G. Malkin(5), Gaëlle Charron(5), Guillaume Rogez(5), L.J. Batchelor(5), Sandra Mazérat(5), Régis Guillot(5), Nathalie Guihéry(5), Talal Mallah(5), Hélène Bolvin(5), Taye B. Demissie(4), Anne‐Laure Barra(4), Martin Kaupp(2), Michał Jaszuński(2), Marius Kadek(1), Lukas Konecny(1), Ulf Ekström(1)