CARDIA, ROBERTO
CARDIA, ROBERTO
A combined molecular dynamics simulation and DFT study on mercapto-benzamide inhibitors for the HIV NCp7 protein
2022-01-01 Cardia, R; Cappellini, G; Valentini, M; Pieroni, E
A computational investigation on the electronic and optical properties of Coronene and its Boron-Nitride and perfluorinated counterparts
2019-01-01 Mocci, P; Cardia, R; Cappellini, G
A computational study on the electronic and optical properties of boron-nitride circumacenes
2019-01-01 Mocci, P.; Cardia, R.; Cappellini, G.
Computational investigation of the effects of perfluorination on the charge-transport properties of polyaromatic hydrocarbons
2016-01-01 Cardia, Roberto; Malloci, Giuliano; Bosin, Andrea; Serra, Giovanni; Cappellini, Giancarlo
Computational investigation on polycyclic aromatic hydrocarbons in the molecular and solid phases
2016-03-18
Computational investigation on the effect of halogen substitution on the electronic, optical, and transport properties of guanine
2015-01-01 Cappellini, Giancarlo; Cardia, Roberto; Malloci, Giuliano
Deciphering molecular mechanisms of interface buildup and stability in porous Si/eumelanin hybrids
2018-01-01 Pinna, E.; Melis, C.; Antidormi, A.; Cardia, R.; Sechi, E.; Cappellini, G.; D’Ischia, M.; Colombo, L.; Mula, G.
Deciphering Molecular Mechanisms of Interface Buildup and Stability in Porous Si/Eumelanin Hybrids
2017-01-01 Pinna, Elisa; Melis, Claudio; Antidormi, Aleandro; Cardia, Roberto; Sechi, Elisa; Cappellini, Giancarlo; D’Ischia, Marco; Colombo, Luciano; Mula, Guido
Effects of substitution and functionalization on the electronic, optical, and transport properties of polycyclic aromatic hydrocarbons
2015-01-01 Cardia, Roberto; Malloci, Giuliano; Cappellini, Giancarlo
Electronic and optical properties of chromophores from bacterial cellulose
2018-01-01 Kumar, Amit; Cardia, Roberto; Cappellini, Giancarlo
Electronic and optical properties of functionalized polyaromatic hydrocarbons: a computational investigation on perfluorinated circumacenes
2016-01-01 Cappellini, Giancarlo; Cardia, Roberto; Malloci, Giuliano; Bosin, Andrea; Serra, Giovanni
Electronic and optical properties of hexathiapentacene in the gas and crystal phases
2016-01-01 Cardia, Roberto; Malloci, Giuliano; Rignanese, Gm; Blase, X; Molteni, Elena; Cappellini, Giancarlo
Electronic and optical properties of nanometer-sized chromophores in bacterial cellulose
2016-01-01 Kumar, A; Cappellini, Giancarlo; Cardia, Roberto
Eumelanin Adsorption on Silicon: Optical Properties of Si(001)-Adsorbed Eumelanin Tetrameric Protomolecules
2020-01-01 Molteni, Elena; Cappellini, Giancarlo; Cardia, Roberto; Onida, Giovanni; Mula, Guido
Effects of TIPS-Functionalization and Perhalogenation on the Electronic, Optical, and Transport Properties of Angular and Compact Dibenzochrysene
2014-01-01 Cardia, Roberto; Malloci, Giuliano; Mattoni, A; Cappellini, Giancarlo
Inclusions of Si-atoms in Graphene nanostructures: A computational study on the ground-state electronic properties of Coronene and Ovalene
2018-01-01 Mocci, Paola; Cardia, R.; Cappellini, G.
Mercapto-Benzamide Inhibitors effects on HIV NCp7 Protein: a parameter-free DFT based structural study
2021-01-01 Cappellini, G.; Cardia, R.; Valentini, M.; Pieroni, E.
Mercapto-Benzamide Inhibitors effects on HIV NCp7 Protein: a parameter-free DFT based structural study
2022-01-01 Cappellini, G; Cardia, R; Valentini, M; Pieroni, E
Molecular mechanisms of interface formation and stability issues in porous Si/eumelanin hybrids
2018-01-01 Pinna, Elisa; Melis, Claudio; Antidormi, Aleandro; Cardia, Roberto; Sechi, Elisa; Cappellini, Giancarlo; Vacca, Annalisa; Mascia, Michele; Colombo, Luciano; Mula, Guido
Neutral-cluster implantation in polymers by computer experiments
2013-01-01 Cardia, Roberto; Melis, Claudio; Colombo, Luciano