Showing results 1 to 50 of 180
Title Issue Date Author(s) Journal Publisher
Cooling Methods for Standard and Floating PV Panels 1-Jan-2023 Majumder, Arnas; Kumar, Amit; Innamorati, Roberto; Mastino, Costantino Carlo; Cappellini, Giancarlo; Baccoli, Roberto; Gatto, Gianluca ENERGIES -
Electronic and Optical Properties of Alkaline Earth Metal Fluoride Crystals with the Inclusion of Many-Body Effects: A Comparative Study on Rutile MgF2 and Cubic SrF2 1-Jan-2023 Cappellini, Giancarlo; Furthmüller, Jürgen; Bechstedt, Friedhelm; Botti, Silvana SYMMETRY -
Molecular simulations of SSTR2 dynamics and interaction with ligands 1-Jan-2023 Gervasoni, Silvia; Guccione, Camilla; Fanti, Viviana; Bosin, Andrea; Cappellini, Giancarlo; Golosio, Bruno; Ruggerone, Paolo; Malloci, Giuliano SCIENTIFIC REPORTS -
First-Principles Investigation of the Optical Properties of Eumelanin Protomolecules 1-Jan-2023 Cardia, Roberto; Dardenne, Nicolas; Mula, Guido; Pinna, Elisa; Rignanese, Gian-Marco; Charlier, Jean-Christophe; Cappellini, Giancarlo JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY -
Optical properties of nanostructured antiviral and anticancer drugs 1-Jan-2023 Pisu, ALESSANDRA ANGELA; Siddi, Francesco; Cappellini, Giancarlo; Cardia, Roberto RSC ADVANCES -
''Messer D. Alighieri e Sir C.V. Raman: un incontro fruttuoso''. Seminario presso la Biblioteca Universitaria di Cagliari (BUCa) il 25/03/2022 in occasioni delle celebrazioni del ''Dantedì-2022''. 1-Jan-2022 Cappellini, Giancarlo; Chiriu, Daniele; Ricci, PIER CARLO - UniCa-BUCa
Mercapto-Benzamide Inhibitors effects on HIV NCp7 Protein: a parameter-free DFT based structural study 1-Jan-2022 Cappellini, G; Cardia, R; Valentini, M; Pieroni, E IOP CONFERENCE SERIES: MATERIALS SCIENCE AND ENGINEERING -
Ab initio circular dichroism with the Yambo code: applications to dipeptides 1-Jan-2022 Molteni, Elena; Cappellini, Giancarlo; Sangalli, Davide IOP CONFERENCE SERIES: MATERIALS SCIENCE AND ENGINEERING -
DFT investigation of mercaptobenzamide inhibitors effect on the HIV NCp7 protein: A structural study 1-Jan-2022 Cardia, R.; Cappellini, G.; Valentini, M.; Pieroni, E. IL NUOVO CIMENTO C Società Italiana di Fisica
A combined molecular dynamics simulation and DFT study on mercapto-benzamide inhibitors for the HIV NCp7 protein 1-Jan-2022 Cardia, R; Cappellini, G; Valentini, M; Pieroni, E PHYSICAL CHEMISTRY CHEMICAL PHYSICS -
First-Principles Study of Electronic Properties of Cesium Chloride Double Perovskites Using a DFT-1/2 Approach 1-Jan-2022 Caetano, Clóvis; Guilhon, Ivan; Cappellini, Giancarlo; Marques, Marcelo; Teles, Lara K. JOURNAL OF PHYSICAL CHEMISTRY. C -
Presentazione ''Science Diffusion Actions at UniCa'' presso Optisches Museum Jena (Dir. Timo Mappes). Iniziativa svolta nell'ambito della collaborazione scientifica IFTO-FSU-Jena/Dipartimento di Fisica-UniCa-Cagliari il 15/09/2021 1-Jan-2021 Cappellini, Giancarlo - UniCa
Mercapto-Benzamide Inhibitors effects on HIV NCp7 Protein: a parameter-free DFT based structural study 1-Jan-2021 Cappellini, G.; Cardia, R.; Valentini, M.; Pieroni, E. - -
Time through colors: A kinetic model of red vermilion darkening from Raman spectra 1-Jan-2021 Chiriu, D.; Pala, M.; Pisu, F. A.; Cappellini, G.; Ricci, P. C.; Carbonaro, C. M. DYES AND PIGMENTS -
Ab Initio Spectroscopic Investigation of Pharmacologically Relevant Chiral Molecules: The Cases of Avibactam, Cephems, and Idelalisib as Benchmarks for Antibiotics and Anticancer Drugs 1-Jan-2021 Molteni, Elena; Onida, Giovanni; Ceccarelli, Matteo; Cappellini, Giancarlo SYMMETRY -
Opto-Electronic properties of BN-ring insertions in Circumacenes: the case of Coronene and Ovalene 1-Jan-2020 Mocci, Paola; Cardia, Roberto; Bosin, Andrea; Cappellini, Giancarlo JOURNAL OF PHYSICS. CONFERENCE SERIES IOP Publishing‎
Electronic and Optical Properties of Small Metal Fluoride Clusters 1-Jan-2020 Cappellini, G.; Bosin, A.; Serra, G.; Furthmuller, J.; Bechstedt, F.; Botti, S. ACS OMEGA -
Eumelanin Adsorption on Silicon: Optical Properties of Si(001)-Adsorbed Eumelanin Tetrameric Protomolecules 1-Jan-2020 Molteni, Elena; Cappellini, Giancarlo; Cardia, Roberto; Onida, Giovanni; Mula, Guido JOURNAL OF PHYSICAL CHEMISTRY. C -
Time-Dependent Density Functional Theory Investigation on the Electronic and Optical Properties of Poly-C,Si,Ge-acenes 1-Jan-2020 Mocci, P.; Malloci, G.; Bosin, A.; Cappellini, G. ACS OMEGA -
''Le basi fisiche del volo : il flyer dei fratelli Wright'', Science Show presso Liceo Scientifico Giua, Pirri (Ca), Manifestazione inserita nell'evento EU ''Notte europea dei Ricercatori 2019'' il 23/09/2019 1-Jan-2019 Cappellini, Giancarlo - UniCa
''Tecniche spettroscopiche di indagine per lo studio ed il restauro dei beni culturali'' Introduzione alle tecniche Raman per i beni culturali Presso la Biblioteca Universitaria di Cagliari (BuCa) il 05/04/19. 1-Jan-2019 Cappellini, Giancarlo - UniCa-BUCa
Presentazione ''Design and production od exhibits for Optics'' at Optisches Museum-Jena (Dir. Timo Mappes) Discussion of possible collaboration on design and production of exhibits for optics between UniCa and Optisches Museum-Jena, 03/07/2021 1-Jan-2019 Cappellini, Giancarlo - UniCa
A computational study on the electronic and optical properties of boron-nitride circumacenes 1-Jan-2019 Mocci, P.; Cardia, R.; Cappellini, G. PHYSICAL CHEMISTRY CHEMICAL PHYSICS -
Extensive stacking of DHI-like monomers as a model of out-of-plane complexity in eumelanin protomolecules: Chemical and structural sensitivity of optical absorption spectra 1-Jan-2019 Molteni, E.; Cappellini, G.; Onida, G.; Mula, G. CHEMICAL PHYSICS -
Electronic and optical properties of chromophores from hexeneuronic acids 1-Jan-2019 Kumar, Amit; Cappellini, Giancarlo; Delogu, Francesco CELLULOSE -
A computational investigation on the electronic and optical properties of Coronene and its Boron-Nitride and perfluorinated counterparts 1-Jan-2019 Mocci, P; Cardia, R; Cappellini, G JOURNAL OF PHYSICS. CONFERENCE SERIES -
Deciphering molecular mechanisms of interface buildup and stability in porous Si/eumelanin hybrids 1-Jan-2018 Pinna, E.; Melis, C.; Antidormi, A.; Cardia, R.; Sechi, E.; Cappellini, G.; D’Ischia, M.; Colombo, L.; Mula, G. - -
Presentation ''Scientific collaboration initiatives between UniCa and ITA'' within 22-30/09/2018 Visiting professor UniCa―MOSGLOB Action at Nanoscopic Group of Istituto Tecnologico de Areonuatica (ITA) Sao Jos dos Campos, SP, Brasil Responsible for UniCa for the Official Meeting with ITA Rector Prof. Anderson Ribeiro Correia for signature of a Framework Programm on scientific cooperation ITA-UniCa. 1-Jan-2018 Cappellini, Giancarlo - UniCa-ITA
Molecular mechanisms of interface formation and stability issues in porous Si/eumelanin hybrids 1-Jan-2018 Pinna, Elisa; Melis, Claudio; Antidormi, Aleandro; Cardia, Roberto; Sechi, Elisa; Cappellini, Giancarlo; Vacca, Annalisa; Mascia, Michele; Colombo, Luciano; Mula, Guido - -
Ancient and modern paper: Study on ageing and degradation process by means of portable NIR μ-Raman spectroscopy 1-Jan-2018 Chiriu, Daniele; Ricci, Pier Carlo; Cappellini, Giancarlo; Carbonaro, Carlo Maria MICROCHEMICAL JOURNAL -
Optical Properties of Free and Si(001)-Adsorbed Pyrimidinic Nucleobases 1-Jan-2018 Molteni, Elena; Fratesi, Guido; Cappellini, Giancarlo; Onida, Giovanni PHYSICA STATUS SOLIDI B-BASIC RESEARCH -
Electronic and optical properties of chromophores from bacterial cellulose 1-Jan-2018 Kumar, Amit; Cardia, Roberto; Cappellini, Giancarlo CELLULOSE -
Ageing of ancient paper: A kinetic model of cellulose degradation from Raman spectra 1-Jan-2018 Chiriu, D.; Ricci, P. C.; Cappellini, G.; Salis, M.; Loddo, Giorgia; Carbonaro, C. M. JOURNAL OF RAMAN SPECTROSCOPY -
Si-atoms substitutions effects on the electronic and optical properties of coronene and ovalene 1-Jan-2018 Mocci, P.; Cardia, R.; Cappellini, G. NEW JOURNAL OF PHYSICS -
Inclusions of Si-atoms in Graphene nanostructures: A computational study on the ground-state electronic properties of Coronene and Ovalene 1-Jan-2018 Mocci, Paola; Cardia, R.; Cappellini, G. JOURNAL OF PHYSICS. CONFERENCE SERIES Institute of Physics Publishing
Electronic properties of fluorides by efficient approximated quasiparticle DFT-1/2 and PSIC methods: BaF2, CaF2and CdF2as test cases 1-Jan-2018 Matusalem, F.; Marques, M.; Teles, L. K.; Filippetti, A.; Cappellini, G. JOURNAL OF PHYSICS. CONDENSED MATTER -
Physical and chemical control of interface stability in porous si–eumelanin hybrids 1-Jan-2018 Antidormi, Aleandro; Aprile, Giulia; Cappellini, Giancarlo; Cara, Eleonora; Cardia, Roberto; Colombo, Luciano; Farris, Roberta; D’Ischia, Marco; Mehrabanian, Mehran; Melis, Claudio; Mula, Guido; Pezzella, Alessandro; Pinna, Elisa; Redolfi Riva, Eugenio JOURNAL OF PHYSICAL CHEMISTRY. C -
Raman characterization of XIV-XVI centuries Sardinian documents: Inks, papers and parchments 1-Jan-2017 Chiriu, Daniele; Ricci, PIER CARLO; Cappellini, Giancarlo VIBRATIONAL SPECTROSCOPY -
Optical properties of organically functionalized silicon surfaces: Uracil-like nucleobases on Si(001) 1-Jan-2017 Molteni, Elena; Cappellini, Giancarlo; Onida, Giovanni; Fratesi, Guido PHYSICAL REVIEW. B -
Deciphering Molecular Mechanisms of Interface Buildup and Stability in Porous Si/Eumelanin Hybrids 1-Jan-2017 Pinna, Elisa; Melis, Claudio; Antidormi, Aleandro; Cardia, Roberto; Sechi, Elisa; Cappellini, Giancarlo; D’Ischia, Marco; Colombo, Luciano; Mula, Guido INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES -
Vibrational and optical characterization of s-triazine derivatives 1-Jan-2017 Stagi, Luigi; Chiriu, Daniele; Scholz, Marek; Carbonaro, CARLO MARIA; Corpino, Riccardo; Porcheddu, Andrea; Rajamaki, Suvi; Cappellini, Giancarlo; Cardia, Roberto; Ricci, PIER CARLO SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY -
Tuning optical properties of dibenzochrysenes by functionalization: A many-body perturbation theory study 1-Jan-2017 Dardenne, Nicolas; Cardia, Roberto; Li, Jing; Malloci, Giuliano; Cappellini, Giancarlo; Blase, Xavier; Charlier, Jean-christophe; Rignanese, Gian-marco JOURNAL OF PHYSICAL CHEMISTRY. C -
''COSA SONO LE UNITA' DI MISURA''. Science Show presso Istituto Comprensivo ''Porcu-Satta'', Quartu S.E.(Ca) il 22/02/2016. 1-Jan-2016 Cappellini, Giancarlo - UniCa
Electronic and optical properties of nanometer-sized chromophores in bacterial cellulose 1-Jan-2016 Kumar, A; Cappellini, Giancarlo; Cardia, Roberto - Facoltà di Ingegneria ''Sapienza''
Optical and electronic properties of monomers of eumelanin: A DFT and TD-DFT computational study 1-Jan-2016 Cardia, Roberto; Cappellini, Giancarlo; Pinna, Elisa; Mula, Guido; Tiddia, Mariavitalia OPTICS AND PHOTONICS JOURNAL (PRINT) -
Electronic and optical properties of hexathiapentacene in the gas and crystal phases 1-Jan-2016 Cardia, Roberto; Malloci, Giuliano; Rignanese, Gm; Blase, X; Molteni, Elena; Cappellini, Giancarlo PHYSICAL REVIEW. B -
Electronic structure of uracil-like nucleobases adsorbed on Si(001): uracil, thymine and 5-fluorouracil 1-Jan-2016 Molteni, Elena; Onida, G; Cappellini, Giancarlo THE EUROPEAN PHYSICAL JOURNAL. B, CONDENSED MATTER PHYSICS -
Electronic and optical properties of functionalized polyaromatic hydrocarbons: a computational investigation on perfluorinated circumacenes 1-Jan-2016 Cappellini, Giancarlo; Cardia, Roberto; Malloci, Giuliano; Bosin, Andrea; Serra, Giovanni - SPIE - The International Society for Optical Engineering
Computational investigation of the effects of perfluorination on the charge-transport properties of polyaromatic hydrocarbons 1-Jan-2016 Cardia, Roberto; Malloci, Giuliano; Bosin, Andrea; Serra, Giovanni; Cappellini, Giancarlo CHEMICAL PHYSICS -
Effects of substitution and functionalization on the electronic, optical, and transport properties of polycyclic aromatic hydrocarbons 1-Jan-2015 Cardia, Roberto; Malloci, Giuliano; Cappellini, Giancarlo - -
Showing results 1 to 50 of 180
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