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Hydrogen Recombination and Dimer Formation on Graphite from Ab Initio Molecular Dynamics Simulations
†Dipartimento di Chimica, Università degli Studi di Milano, via Golgi 19, 20133 Milan, Italy ‡ Istituto di Scienze e Tecnologie Molecolari, CNR-ISTM, via Golgi 19, 20133 Milan, Italy *R. Martinazzo.
While the synergistic interaction between the quaternary ammonium head group of CTAB and the π-electron cloud of aromatic amino acid ester is influenced by the relative orientation and the unusual ...
Molecular machine learning (ML) underpins critical workflows in drug discovery, material science, and catalyst optimization ...
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