Positions (2)
Publications (4)
- DFT Simulation for Properties Determination of Chelating Spironaphthoxazine Derivatives
- Specifics of the Molecular Conformations and Physicochemical Properties of Merocyanine Form of Spirooxazine Derivative: Insights from Experimental and Molecular Dynamics Studies
- Assessment of the Heat Capacity by Thermodynamic Approach Based on Density Functional Theory Calculations
- Surface energies for the alpha polymorph of the magnesium hydride
2025
2022
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