Conformational Study and Chiroptical Properties of Chiral Dimethyl- Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF)
Density-functional tight-binding approach for metal clusters, nanoparticles, surfaces and bulk: application to silver and gold
Evaluation of Gas-to-Liquid 17O Chemical Shift of Water: A Test Case for Molecular and Periodic Approaches
Metal Atom Clusters as Building Blocks for Multifunctional Proton-Conducting Materials: Theoretical and Experimental Characterization