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Lab team

Development of modern quantum chemical methods for predicting the properties of substances (thermochemistry, spectra) and the energy of chemical reactions in the gas phase and solution from the first principles.

  1. Quantum Chemistry
Yury Minenkov
Head of Laboratory
Arseniy Otlyotov 🥼 🤝
Senior Researcher

Research directions

Simulation of solvation processes

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Simulation of solvation processes
Development of software for calculating the thermodynamics of solvation and generation of conformational ensembles.

Prediction of enthalpy of formation of substances

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Prediction of enthalpy of formation of substances
Development of a universal protocol for predicting the heats of formation of substances based on the Feller-Peterson-Dixon approach.

Publications and patents

Lab address

Москва, ул. Косыгина, 4, корп. 1
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