Natacha Gillet

Theoretical estimation of redox potential of biological quinone cofactors

Bernard Lévy, Aurélien de la Lande, Vicent Moliner, 2017, J. Comput. Chem..

Progress and challenges in simulating and understanding electron transfer in proteins.

Natacha Gillet, Dennis R Salahub, D. Salahub, 2015, Archives of biochemistry and biophysics.

Entasis through hook-and-loop fastening in a glycoligand with cumulative weak forces stabilizing Cu(I).

François Lambert, Jean-Philip Piquemal, Natacha Gillet, 2015, Journal of the American Chemical Society.

Electronic Coupling Calculations for Bridge-Mediated Charge Transfer Using Constrained Density Functional Theory (CDFT) and Effective Hamiltonian Approaches at the Density Functional Theory (DFT) and Fragment-Orbital Density Functional Tight Binding (FODFTB) Level.

Jochen Blumberger, Marcus Elstner, Natacha Gillet, 2016, Journal of chemical theory and computation.