Research Interests of Department of Theoretical Chemistry
- Ab Initio Calculations
- Ab Initio Quantum Chemical Investigation of Electric Field Gradients in Molecules
- Application of QCH Methods and Programs for Calculations of PES
- Electron-Molecule Interactions: Electron scattering and vibrational excitation
- Molecular dynamics
- Multireference coupled cluster methods
- Theoretical study of electronic structure of solid surfaces, clusters and other nanostructures
- Theory of Resonnances: Modeling Quantum Resonnances
Scientists and students of the Department... (XI/2015)
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Department of Theoretical Chemistry
Deputy Head