"Acidic Solutions"@en . "Porous materials"@en . . . . "Molecular magnets"@en . "C-Phycocyanin chromophore"@en . "Nylon-oligomer"@en . "Electronic excited states"@en . "First-principles molecular dynamics"@en . "Density Functional Theory"@en . "Intermolecular center-to-center distance"@en . "Nanoscale effects"@en . "Van der Waals"@en . "Atomic structure"@en . . "Electronic contrast"@en . "SPECTROSCOPY"@en . "Glass"@en . "Minimum energy principle"@en . "Phase-change materials"@en . "2D self-assembly"@en . "Magnetoelectric effects"@en . "Chalcogel"@en . "Time-dependent density functional theory"@en . "FINE-STRUCTURE" . "Molecular conformation"@en . . "SCATTERING" . "Alanine precursor"@en . "Catalytic triad"@en . "Glass structure"@en . "Thermal conductivity"@en . "Heat conduction"@en . "Mauro" . "Disordered materials"@en . "Molecular Simulations"@en . "Hydrolases"@en . "Enzymes"@en . "DENSITY"@en . "Grand canonical Monte Carlo"@en . "Car-Parrinello molecular dynamics"@en . "Amorphous"@en . "Molecular dynamics"@en . <0000-0002-5052-2849> . "Kondo physics"@en . "Oxygen reduction reaction"@en . "Prebiotic Chemistry"@en . "Layered simple hydroxides"@en . "Amorphous materials"@en . "Bisphthalocyaninato terbium III"@en . "STM"@en . "Tunnel junction"@en . "Chalcogenides"@en . "Quantum computation"@en . "Car-Parrinello Molecular Dynamics CPMD"@en . "Pre-biotics"@en . "DOUBLE-BARRIER DIODES" . "Molecular quantum dot"@en . . <177244089> . "Isomer"@en . "Electronic structure"@en . . . . . "93e94548a7c981538d50b13d6d4f50d6" . . . "Ab initio"@en . "Chirality"@en . . . "Single molecule"@en . . "Epitaxial growth"@en . . "NANOSTRUCTURES" . "GaN"@en . "Carbene"@en . "Di-chalcogenides"@en . "Inelastic electron tunneling"@en . "Metadynamics"@en . "2-aminopropanenitrile"@en . "Atomic scale modelling"@en . "Organometallic"@en . "First principles simulations"@en . "Boero" . "Chalcogenide glasses"@en . "Astrobiology"@en . . "Charge"@en . "Gas adsorption"@en . "Carbon materials catalysts"@en . "Double-decker"@en . "Mauro Boero" . "Fluorene phosphonic acids"@en . "Transition dipole moments"@en . "Quantum chemistry calculations"@en . . "Absorption and emission spectra"@en . "Photosynthesis"@en . "Fuel cells"@en . "Non-stoichiometric amorphous SiN"@en . . "STATES"@en . "Peptidase"@en . "Thermopower"@en . "Spin"@en . "Glasses"@en . "DFT"@en . "Circularly polarized light Symmetry-adapted cluster-configuration interaction Alanine Valine"@en . . "Modeling"@en .