Sfoglia per Autore
Revisiting the identity of δ-MgCl2: Part I. Structural disorder studied by synchrotron X-ray total scattering
2020-01-01 Wada, T.; Takasao, G.; Piovano, A.; D'Amore, M.; Thakur, A.; Chammingkwan, P.; Bruzzese, P. C.; Terano, M.; Civalleri, B.; Bordiga, S.; Groppo, E.; Taniike, T.
Elucidating the Interaction of CO2 in the Giant Metal-Organic Framework MIL-100 through Large-Scale Periodic Ab Initio Modeling
2019-01-01 D'Amore, M.; Civalleri, B.; Bush, I. J.; Albanese, E.; Ferrabone, M.
Substitutional boron and nitrogen pairs in diamond. A quantum mechanical vibrational analysis
2019-01-01 Salustro, S.; Colasuonno, F.; Ferrari, A. M.; D'Amore, M.; Mackrodt, W. C.; Dovesi, R.
Characterization and Modeling of Reversible CO2 Capture from Wet Streams by a MgO/Zeolite Y Nanocomposite
2019-01-01 Signorile, Matteo; Vitillo, Jenny G.; D’Amore, Maddalena; Crocellà, Valentina; Ricchiardi, Gabriele; Bordiga, Silvia
Nitrogen substitutional defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties
2019-01-01 Platonenko, A.; Gentile, F. S.; Pascale, F.; Ferrari, A. M.; D'Amore, M.; Dovesi, R.
Binding of Nucleic Acid Components to the Serpentinite-Hosted Hydrothermal Mineral Brucite
2018-01-01 Fornaro, T; Brucato, J R; Feuillie, C; Sverjensky, D A; Hazen, R M; Brunetto, R; D'Amore, M; Barone, V
On the structure of superbasic (MgO)n sites solvated in a faujasite zeolite
2018-01-01 Vitillo, Jenny G.; Fjermestad, Torstein; D'Amore, Maddalena; Milanesio, Marco; Palin, Luca; Ricchiardi, Gabriele; Bordiga, Silvia
On the structure of superbasic (MgO)n sites solvated in a faujasite zeolite
2018-01-01 Vitillo, Jenny G.; Fjermestad, Torstein; D'Amore, Maddalena; Milanesio, Marco; Palin, Luca; Ricchiardi, Gabriele; Bordiga, Silvia
Spectroscopic evidences for TiCl4/Donor complexes on the surface of MgCl2-supported Ziegler-Natta catalysts
2018-01-01 Piovano, A; D'Amore, M; Thushara, K. S.; Groppo, E.
The Influence of Alcohols in Driving the Morphology of Magnesium Chloride Nanocrystals
2017-01-01 Thushara, K. S.; D'Amore, Maddalena; Piovano, Alessandro; Bordiga, Silvia; Groppo, Elena Clara
Surface Investigation and Morphological Analysis of Structurally Disordered MgCl2 and MgCl2/TiCl4 Ziegler-Natta Catalysts
2016-01-01 D'Amore, Maddalena; Thushara, K. S.; Piovano, Alessandro; Causa, Mauro; Bordiga, Silvia; Groppo, Elena
Probing the coordinative unsaturation and local environment of Ti³⁺ sites in an activated high-yield Ziegler-Natta catalyst
2015-01-01 Morra, Elena; Giamello, Elio; Van Doorslaer, Sabine; Antinucci, Giuseppe; D'Amore, Maddalena; Busico, Vincenzo; Chiesa, Mario
Electron Localization Function and Maximum Probability Domains analysis of semi-ionic oxides crystals, surfaces and surface defects
2015-01-01 Causa, Mauro; D'Amore, Maddalena; Gentile Francesco, Silvio; Menendez, Marcos; Calatayud, Monica
Periodic Hybrid DFT Approach (Including Dispersion) to MgCl2-Supported Ziegler-Natta Catalysts: 2. Model Electron Donor Adsorption on MgCl2 Crystal Surfaces
2013-01-01 Capone, F; Rongo, L; D'Amore, M; Budzelaar, P H M; Busico, V
Theoretical Analysis of the Reactivity of Carbon Nanotubes: Local Versus Topological Effects
2013-01-01 Massimo, Fusaro; Vincenzo, Barone; Causa', Mauro; D'Amore, Maddalena; Garzillo, Carmine
The Bond Analysis Techniques (ELF and Maximum Probability Domains) Application to a Family of Models Relevant to Bio-Inorganic Chemistry
2013-01-01 Causa', M; D'Amore, M; Garzillo, C; Gentile, F; Savin, A
Effects of molecular dynamics and solvation on the electronic structure of molecular probes
2012-01-01 P., Caruso; Causa', Mauro; P., Cimino; Crescenzi, Orlando; D'Amore, Maddalena; R., Improta; Pavone, Michele; Rega, Nadia
A Periodic Hybrid DFT Approach (Including Dispersion) to MgCl2-Supported Ziegler-Natta Catalysts, 1. TiCl4 Adsorption on MgCl2 Crystal Surfaces
2012-01-01 D'Amore, M; Credendino, R; Budzelaar, P H M; Causá, M; Busico, V
“A quantum mechanical study of α, β and γ crystal phases of TiCl3: geometry, electronic structure and magnetism”
2009-01-01 Sementa, L; D'Amore, M; Barone, V; Busico, V; Causa, M.
Interface between alkylammonium ions and layered aluminophosphates materials: A combined theoretical and experimental study
2008-01-01 M., D'Amore; Bisio, Chiara; G., Talarico; Cossi, Maurizio; Marchese, Leonardo
Legenda icone
- file ad accesso aperto
- file disponibili sulla rete interna
- file disponibili agli utenti autorizzati
- file disponibili solo agli amministratori
- file sotto embargo
- nessun file disponibile