Electronic and optical properties of families of polycyclic aromatic hydrocarbons: A systematic (time-dependent) density functional theory study von Malloci, G., Cappellini, G., Mulas, G., Mattoni, A.

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Effects of TIPS-Functionalization and Perhalogenation on the Electronic, Optical, and Transport Properties of Angular and Compact Dibenzochrysene von Cardia, R, Malloci, G, Mattoni, A, Cappellini, G

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Exploring key features of selectivity in somatostatin receptors through molecular dynamics simulations von Guccione, C., Gervasoni, S., Öztürk, I., Bosin, A., Ruggerone, P., Malloci, G.

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Time-dependent density functional study of the electronic spectra of oligoacenes in the charge states −1, 0, +1, and +2 von Malloci, G., Mulas, G., Cappellini, G., Joblin, C.

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Computational investigation of the effects of perfluorination on the charge-transport properties of polyaromatic hydrocarbons von Cardia, R., Malloci, G., Bosin, A., Serra, G., Cappellini, G.

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Electronic Properties and Quantum Confinement in Bi2S3 Ribbon-Like Nanostructures von Calzia, V, Malloci, G, Bongiovanni, G, Mattoni, A

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Electronic absorption spectra of PAHs up to vacuum UV: Towards a detailed model of interstellar PAH photophysics von MALLOCI, G, MULAS, G, JOBLIN, C

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A (time-dependent) density functional theory study of the optoelectronic properties of bis-triisopropylsilylethynyl-functionalized acenes von Malloci, G., Cappellini, G., Mulas, G., Mattoni, A.

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High-resolution infrared absorption spectroscopy of thermally excited naphthalene. Measurements and calculations of anharmonic parameters and vibrational interactions von PIRALI, O, VERVLOET, M, MULAS, G, MALLOCI, G, JOBLIN, C

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Theoretical evaluation of PAH dication properties von Malloci, G., Joblin, C., Mulas, G.

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Role of Molecular Thermodynamical Processes at Functionalized Polymer/Metaloxide Interfaces for Photovoltaics von Malloci, G, Binda, M, Petrozza, A, Mattoni, A

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Dehydrogenated polycyclic aromatic hydrocarbons and UV bump von Malloci, G., Mulas, G., Cecchi-Pestellini, C., Joblin, C.

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A general model for the identification of specific PAHs in the far-IR von Mulas, G., Malloci, G., Joblin, C., Toublanc, D.

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Atomistic simulations of thiol-terminated modifiers for hybrid photovoltaic interfaces von Malloci, G., Petrozza, A., Mattoni, A.

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The role of the charge state of PAHs in ultraviolet extinction von Cecchi-Pestellini, C., Malloci, G., Mulas, G., Joblin, C., Williams, D. A.

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Diagnostics for specific PAHs in the far-IR : searching neutral naphthalene and anthracene in the Red Rectangle von MULAS, G, MALLOCI, G, JOBLIN, C, TOUBLANC, D

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Modelling peculiar extinction curves von Zonca, A., Cecchi-Pestellini, C., Mulas, G., Malloci, G.

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Electronic and optical properties of hexathiapentacene in the gas and crystal phases von Cardia, R., Malloci, G., Rignanese, G.-M., Blase, X., Molteni, E., Cappellini, G.

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Search for corannulene (C20H10) in the Red Rectangle von Pilleri, P., Herberth, D., Giesen, T. F., Gerin, M., Joblin, C., Mulas, G., Malloci, G., Grabow, J.-U., Brünken, S., Surin, L., Steinberg, B. D., Curtis, K. R., Scott, L. T.

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Theoretical electron affinities of PAHs and electronic absorption spectra of their mono-anions von MALLOCI, G, MULAS, G, CAPPELLINI, G, FIORENTINI, V, PORCEDDU, I

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