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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.

Topic(s)

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Call for proposal

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Coordinator

ROYAL INSTITUTE OF TECHNOLOGY
EU contribution
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Address
Teknikringen, 30
100 44 STOCKHOLM
Sweden

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Total cost
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