https://www.selleckchem.com/ph....armacological_epigen
Nonalternant aromatic π-electron systems show promises for surface functionalization due to their unusual electronic structure. Based on our previous experiences for metal surfaces, we investigate the adsorption structures, adsorption dynamics and bonding characteristics of azulene and its alternant aromatic isomer naphthalene on the Si(001) surface. Using a combination of density functional theory,ab initiomolecular dynamics, reaction path sampling and bonding analysis with the energy decomposition analysis for extended syst
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