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

Department of Theoretical Chemistry

Scientists and students of the Department... (XI/2015)