Skip to main content

Dft calculations of magnetic resonance parameters of copper-containing enzymes

Objective

Modern relativistic electronic structure calculations will be used in order to calculate EPR parameters (g- and A-tensors) from DFT wave functions for the metalloenzyme copper- nitrite reductases.

Funding Scheme

RGI - Research grants (individual fellowships)

Coordinator

ROYAL INSTITUTE OF TECHNOLOGY
Address
Teknikringen, 30
100 44 Stockholm
Sweden