Simulation and experiment on thermocatalytic conversions of SF6 by TiO2/SiC
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2-methylimidazolium hydrogen succinate single crystal growth and DFT insight for NLO applications
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Insights into photo-induced hydrogen bonding effects and ESIPT processes for 5-benzooxazol-2-yl-[1,1’,3’,1’]terphenyl-4’-ol derivatives: a computational study
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Theoretical explorations about excited-state behaviours associated with solvent polarity effects for 1,5-dihydroxy-2,6-diphenylanthraquinone fluorophore
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Silicon-containing heteroacenes (SCHs) for organic electronic applications
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Molecular dynamics simulation study on the transport properties of the supercritical carbon dioxide and alkanes mixture systems
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Analytical expressions for the equation of state, and Helmholtz free energy of a fluid of hard disks: the hexatic phase transition
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Giovanni Ciccotti: a Renaissance physicist
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Ab initio coupled cluster study of chemical shifts of X-ray emission lines in solids: pilot applications to ytterbium halides
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MoSe2 as a potential anode material for calcium ion batteries: first-principles study
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