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Irina L. Rusakova

Observed names: I L Rusakova, I. L. Rusakova, I.L. Rusakova, Irina Rusakova, Rusakova, Irina, Rusakova, Irina L.
ORCID: 0000-0002-1089-3864
Observed ORCID: 0000-0002-1089-3864
OpenAlex ID: A5028166072
Calculations of nonlinear response properties using the intermediate state representation and the algebraic-diagrammatic construction polarization propagator approach: Two-photon absorption spectra
2012 · S. Knippenberg, D. R. Rehn, et al. · The Journal of Chemical Physics · 85
Theoretical grounds of relativistic methods for calculation of spin–spin coupling constants in nuclear magnetic resonance spectra
2016 · I L Rusakova, Yu Yu Rusakov, et al. · Russian Chemical Reviews · 70
Relativistic effects in the NMR spectra of compounds containing heavy chalcogens
2018 · Irina L. Rusakova, Leonid B. Krivdin · Mendeleev Communications · 59
On the HALA effect in the NMR carbon shielding constants of the compounds containing heavy p‐elements
2016 · Yu. Yu. Rusakov, Irina L. Rusakova, et al. · International Journal of Quantum Chemistry · 47
Quantum Chemical Approaches to the Calculation of NMR Parameters: From Fundamentals to Recent Advances
2022 · Irina L. Rusakova · Magnetochemistry · 37
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Relativistic Effects from Heavy Main Group p-Elements on the NMR Chemical Shifts of Light Atoms: From Pioneering Studies to Recent Advances
2023 · Irina L. Rusakova, Yuriy Yu. Rusakov · Magnetochemistry · 32
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On the utmost importance of the geometry factor of accuracy in the quantum chemical calculations of 31P NMR chemical shifts: New efficient pecG- n ( n = 1, 2) basis sets for the geometry optimization procedure
2024 · Yu. Yu. Rusakov, Yu. A. Nikurashina, et al. · The Journal of Chemical Physics · 31
An efficient method for generating property-energy consistent basis sets. New pecJ- n ( n = 1, 2) basis sets for high-quality calculations of indirect nuclear spin–spin coupling constants involving 1 H, 13 C, 15 N, and 19 F nuclei
2021 · Yuriy Yu. Rusakov, Irina L. Rusakova · Physical Chemistry Chemical Physics · 30
New pecS-n (n = 1, 2) basis sets for quantum chemical calculations of the NMR chemical shifts of H, C, N, and O nuclei
2022 · Yuriy Yu. Rusakov, Irina L. Rusakova · The Journal of Chemical Physics · 28
Quantum chemical calculations of 77 Se and 125 Te nuclear magnetic resonance spectral parameters and their structural applications
2020 · Irina L. Rusakova, Yuriy Yu. Rusakov · Magnetic Resonance in Chemistry · 27
MP2 calculation of 77Se NMR chemical shifts taking into account relativistic corrections
2015 · Yury Yu. Rusakov, Irina L. Rusakova, et al. · Magnetic Resonance in Chemistry · 25
Computational Multinuclear NMR of Platinum Complexes: A Relativistic Four-Component Study
2019 · Valentin A. Semenov, Dmitry O. Samultsev, et al. · The Journal of Physical Chemistry A · 24
Relativistic heavy atom effect on 13 C NMR chemical shifts initiated by adjacent multiple chalcogens
2018 · Yu.Yu. Rusakov, I.L. Rusakova · Magnetic Resonance in Chemistry · 23
On the significant relativistic heavy atom effect on 13C NMR chemical shifts of β- and γ-carbons in seleno- and telluroketones
2017 · Yuriy Yu. Rusakov, Irina L. Rusakova, et al. · Molecular Physics · 23
Calculation of125Te NMR Chemical Shifts at the Full Four-Component Relativistic Level with Taking into Account Solvent and Vibrational Corrections: A Gateway to Better Agreement with Experiment
2017 · Irina L. Rusakova, Yuriy Yu. Rusakov, et al. · The Journal of Physical Chemistry A · 23
Long‐range relativistic heavy atom effect on 1H NMR chemical shifts of selenium‐ and tellurium‐containing compounds
2018 · Yuriy Yu. Rusakov, Irina L. Rusakova · International Journal of Quantum Chemistry · 22
First example of the correlated calculation of the one‐bond tellurium–carbon spin–spin coupling constants: Relativistic effects, vibrational corrections, and solvent effects
2016 · Irina L. Rusakova, Yury Yu. Rusakov, et al. · Journal of Computational Chemistry · 22
On the Efficiency of the Density Functional Theory (DFT)-Based Computational Protocol for 1H and 13C Nuclear Magnetic Resonance (NMR) Chemical Shifts of Natural Products: Studying the Accuracy of the pecS-n (n = 1, 2) Basis Sets
2023 · Yuriy Yu. Rusakov, Valentin A. Semenov, et al. · International Journal of Molecular Sciences · 21
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Hierarchical Basis Sets for the Calculation of Nuclear Magnetic Resonance Spin–Spin Coupling Constants Involving Either Selenium or Tellurium Nuclei
2019 · Yuriy Yu. Rusakov, Irina L. Rusakova · The Journal of Physical Chemistry A · 21
Relativistic heavy atom effect on the 31 P NMR parameters of phosphine chalcogenides. Part 1. Chemical shifts
2018 · Yury Yu Rusakov, Irina L. Rusakova, et al. · Magnetic Resonance in Chemistry · 21
Relativistic effects in the one‐bond spin–spin coupling constants involving selenium
2014 · Irina L. Rusakova, Yury Yu. Rusakov, et al. · Magnetic Resonance in Chemistry · 21
New pecJ-n (n = 1, 2) Basis Sets for High-Quality Calculations of Indirect Nuclear Spin–Spin Coupling Constants Involving 31P and 29Si: The Advanced PEC Method
2022 · Yuriy Yu. Rusakov, Irina L. Rusakova · Molecules · 20
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New efficient pecS- n ( n = 1, 2) basis sets for quantum chemical calculations of 31 P NMR chemical shifts
2023 · Yuriy Yu. Rusakov, Irina L. Rusakova · Physical Chemistry Chemical Physics · 19
Stereoselective synthesis of E-2-halovinyl tellanes, ditellanes and selenides based on tellurium tetrahalides, selenium dihalides and internal alkynes
2018 · Vladimir A. Potapov, Maxim V. Musalov, et al. · Journal of Organometallic Chemistry · 19
Algebraic-diagrammatic construction polarization propagator approach to indirect nuclear spin–spin coupling constants
2012 · I. L. Rusakova, L. B. Krivdin, et al. · The Journal of Chemical Physics · 19
Works count: 62
Citation count: 1,044
H-index: 21
I10-index: 40
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