Publications 2017

3D. Marchione, M. A. Izquierdo, G. Bistoni, R. W. A. Havenith, A. Macchioni, D. Zuccaccia, F. Tarantelli, L. Belpassi 13C NMR Spectroscopy of N-Heterocyclic Carbenes Can Selectively Probe σ Donation in Gold(I) Complexes
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Chem. Eur. J., 23, 2722-27282017
2R. Alessandri, J. J. Uusitalo, A. H. de Vries, R. W. A. Havenith, and S. J. Marrink Bulk Heterojunction Morphologies with Atomistic Resolution from Coarse-Grain Solvent Evaporation Simulations
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J. Am. Chem. Soc., 139, 3697-37052017
1G. A. de Wijs, R. Laskowski, P. Blaha, R. W. A. Havenith, G. Kresse, M. Marsman NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations
Full article in pdf format
J. Chem. Phys., 146, 0641152017