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Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review
Size-Dependent Proton Localization in Hydrated Uracil Clusters : A Joint Experimental and Theoretical Study
The Ouzo Effect to Selectively Assemble Molybdenum Clusters into Nanomarbles or Nanocapsules with Increased HER Activity
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
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
Theoretical investigation of the solid–liquid phase transition in protonated water clusters