Theoretical investigation of F430-catalyzed dehalogenation of chloro-alkanes. A comprehensive DFT benchmark

07/10/2025 - 11:36

Publications

Dominik Dusza, Mateusz Pokora, Li Ji, Piotr Paneth, Phys. Chem. Chem. Phys., 2025, 27, 14217.

MAIN RESEARCH AREAS

Molecular biotechnology

In particular, new biological materials, new biocatalysts, and new regulatory molecules.

New materials

In particular, new bio-compatible polymers and bioconjugates.

Applied computational technologies

In particular, computer simulations and computational tools for the prediction of properties, structure, and dynamics of molecular and macromolecular systems.

PARTNERS

Strategic Partner

Theoretical investigation of F430-catalyzed dehalogenation of chloro-alkanes. A comprehensive DFT benchmark

MAIN RESEARCH AREAS

Molecular biotechnology

New materials

Applied computational technologies

PARTNERS

Strategic Partner

Max Planck Institute

Industrial Partners

SiA Pietrucha Sp. z o.o.

Grupa Maspex sp. z o.o sp. k

Adamed Pharma S.A.

International Centre for Research on Innovative Bio-based Materials