Yuriy Yu Rusakov (Yu Yu Rusakov, Yury Yu Rusakov, Yuriy Y Rusakov)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 14

Top Topics

Transition Metal

Molecular Dynamics

Clinical Evaluation

Top Venues

Magnetic resonance in chemistry : MRC

International journal of molecular sciences

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. A

This page only lists publications with an associated author ORCID identifier.

Publications

Yuriy Yu Rusakov, Valentin A Semenov, Irina L Rusakova
On the Efficiency of the Density Functional Theory (DFT)-Based Computational Protocol for 1 H and 13 C Nuclear Magnetic Resonance (NMR) Chemical Shifts of Natural Products: Studying the Accuracy of the pecS- n ( n = 1, 2) Basis Sets. International journal of molecular sciences 24 (19) (2023)
Yuriy Yu Rusakov, Irina L Rusakova
New efficient pecS- n ( n = 1, 2) basis sets for quantum chemical calculations of 31 P NMR chemical shifts. Physical chemistry chemical physics : PCCP (2023)
Yuriy Yu Rusakov, Irina L Rusakova
New pecJ- n ( n = 1, 2) Basis Sets for Selenium Atom Purposed for the Calculations of NMR Spin-Spin Coupling Constants Involving Selenium. International journal of molecular sciences 24 (9) (2023)
Irina L Rusakova, Yuriy Yu Rusakov
On the Utmost Importance of the Basis Set Choice for the Calculations of the Relativistic Corrections to NMR Shielding Constants. International journal of molecular sciences 24 (7) (2023)
Yuriy Yu Rusakov, Irina L Rusakova
New pecJ- n ( n = 1, 2) Basis Sets for Selenium Atom Purposed for the Calculations of NMR Spin-Spin Coupling Constants Involving Selenium. International journal of molecular sciences 24 (9) (2023)
Irina L Rusakova, Yuriy Yu Rusakov, Leonid B Kridvin
Computational 199 Hg NMR. Magnetic resonance in chemistry : MRC 60 (10) (2022)
Stepan A Ukhanev, Sergei V Fedorov, Yuriy Yu Rusakov, Irina L Rusakova, Leonid B Kridvin
Fluorine spin-spin coupling constants of pentafluorobenzene revisited at the ab initio correlated levels. Magnetic resonance in chemistry : MRC 60 (9) (2022)
Yuriy Yu Rusakov, Irina L Rusakova
Efficient J-oriented tin basis sets for the correlated calculations of indirect nuclear spin-spin coupling constants. Magnetic resonance in chemistry : MRC 59 (7) (2021)
Irina L Rusakova, Yuriy Yu Rusakov
Quantum chemical calculations of 77 Se and 125 Te nuclear magnetic resonance spectral parameters and their structural applications. Magnetic resonance in chemistry : MRC 59 (4) (2020)
Yuriy Yu Rusakov, Irina L Rusakova, Valentin A Semenov, Leonid B Kridvin
A New Basis Set for the Calculation of 13C NMR Chemical Shifts within a Non-empirical Correlated Framework. The journal of physical chemistry. A 124 (36) (2020)
Irina L Rusakova, Yuriy Yu Rusakov
Correlated ab initio calculations of one-bond 31 P77 Se and 31 P125 Te spin-spin coupling constants in a series of PSe and PTe systems accounting for relativistic effects (part 2). Magnetic resonance in chemistry : MRC 58 (10) (2020)
Irina L Rusakova, Yuriy Yu Rusakov
On the heavy atom on light atom relativistic effect in the NMR shielding constants of phosphine tellurides. Magnetic resonance in chemistry : MRC 57 (12) (2019)
Yuriy Yu Rusakov, I L Rusakova
Relativistic heavy atom effect on 13 C NMR chemical shifts initiated by adjacent multiple chalcogens. Magnetic resonance in chemistry : MRC 56 (8) (2018)
Yuriy Yu Rusakov, Irina L Rusakova, Leonid B Kridvin
Relativistic heavy atom effect on the 31 P NMR parameters of phosphine chalcogenides. Part 1. Chemical shifts. Magnetic resonance in chemistry : MRC 56 (11) (2018)