CTI Team - Inorganic Theoretical Chemistry
What are we interested in?
- the understanding of the chemical bond in transition metal inorganic chemistry,
- the study of electron-counting, structure, physical properties and reactivity of both molecular and solid state systems.
Our tool?
- Quantum mechanics (DFT, WFT) implemented in various codes (ADF, Gaussian, Molcas, WIEN2k, Castep, CPMD…)