Публикации — Кванты и Динамика
Наши последние публикации

Квантово-химическое моделирование механизмов органических реакций

Оценка структуры и окислительной стабильности комплексов в электролитных смесях литий-ионных аккумуляторов

Lithiated Nafion plasticised by a mixture of ethylene carbonate and sulfolane (Electrochimica Acta, 2021)

QC and MD Modelling for Predicting the Electrochemical Stability Window of Electrolytes: New Estimating Algorithm (Batteries 2022)

Determining the Oxidation Stability of Electrolytes for Lithium-Ion Batteries Using Quantum Chemistry and Molecular Dynamics (Electrochem 2024)

Structural Features of Statistically Significant Complexes Formed in the 0.5 mol/kg LiDFOB SL/DMC System (Russian Journal of General Chemistry 2024)

Structure and Properties of the Lithium Bis(fluorosulfonyl)imide (LiFSI) in Sulfolane. Molecular Dynamics Simulation (Russian Journal of Physical Chemistry A 2026)

Physicochemical Properties and Structure of Lithium Tetrasulfide Solutions in a LiClO4/Sulfolane Electrolyte (J. Phys. Chem. B 2026 )

Structure and Physicochemical Properties of Magnesium Perchlorate Solutions in Aprotic Solvents (Russian Journal of Physical Chemistry A 2025 )

On the Possibility of Estimating the Dissociation Constant of Lithium Salts in Sulfolane by Molecular Dynamics (Russian Journal of Physical Chemistry A 2025 )

Solvate Complex LiAlCl4·SO2: Synthesis and Physical-Chemical Properties (J. Phys. Chem. B 2024 )

Structure and Physicochemical Properties of Solutions of Lithium Polysulfides in Tetrasolvate of Lithium Perchlorate with Sulfolane Molecular Dynamics Modeling (J. Phys. Chem. B 2024 )

Determination of the phase transition of solutions of lithium salts in sulfolane by the molecular dynamics method (Russian Chemical Bulletin 2023 )

Theoretical Investigation of the Structure and Physicochemical Properties of Alkaline and Alkaline Earth Metal Perchlorate Solutions in Sulfolane (J. Phys. Chem. B 2022 )

Algorithm for Theoretical Assessment of the Electrochemical Stability of Electrolytes in Lithium-Ion Batteries by the Example of LiBF4 in the EC/DMC Mixture (Russian Journal of Electrochemistry 2022 )

Evaluation of Electrochemical Stability of Substituted Sulfolanes Based on Bond Orders (Russian Journal of Physical Chemistry A 2021 )

Оценка ионной проводимости полиэлектролита с помощью методов молекулярной динамики (Мембраны и мембранные технологии 2025)

Консультации по решению