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Mostrati risultati da 1 a 10 di 10
Surface Investigation and Morphological Analysis of Structurally Disordered MgCl2 and MgCl2/TiCl4 Ziegler-Natta Catalysts
2016 D'Amore, Maddalena; Thushara, K. S.; Piovano, Alessandro; Causa, Mauro; Bordiga, Silvia; Groppo, Elena
Electron Localization Function and Maximum Probability Domains analysis of semi-ionic oxides crystals, surfaces and surface defects
2015 Causa, Mauro; D'Amore, Maddalena; Gentile Francesco, Silvio; Menendez, Marcos; Calatayud, Monica
Probing the coordinative unsaturation and local environment of Ti³⁺ sites in an activated high-yield Ziegler-Natta catalyst
2015 Morra, Elena; Giamello, Elio; Van Doorslaer, Sabine; Antinucci, Giuseppe; D'Amore, Maddalena; Busico, Vincenzo; Chiesa, Mario
Theoretical Analysis of the Reactivity of Carbon Nanotubes: Local Versus Topological Effects
2013 Massimo, Fusaro; Vincenzo, Barone; Causa', Mauro; D'Amore, Maddalena; Garzillo, Carmine
Periodic Hybrid DFT Approach (Including Dispersion) to MgCl2-Supported Ziegler-Natta Catalysts. 2. Model Electron Donor Adsorption on MgCl2 Crystal Surfaces
2013 Capone, F; Rongo, Luca; D'Amore, Maddalena; Budzelaar, Petrus Henricus Maria; Busico, Vincenzo
The Bond Analysis Techniques (ELF and Maximum Probability Domains) Application to a Family of Models Relevant to Bio-Inorganic ChemistryApplications of Density Functional Theory to Biological and Bioinorganic Chemistry
2013 Causa', Mauro; D'Amore, Maddalena; Garzillo, Carmine; Gentile, Francesco; Andreas, Savin
Effects of molecular dynamics and solvation on the electronic structure of molecular probes
2012 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 D'Amore, Maddalena; R., Credendino; Budzelaar, Petrus Henricus Maria; Causa', Mauro; Busico, Vincenzo
Latest Developments in the Periodic DFT-D Modeling of MgCl2-Supported ZN Catalysts
2010 D'Amore, Maddalena
A DFT(-D) revisitation of MgCl2-supported Ziegler-Natta catalysts: the question of TiCl4 adsorption
2010 D'Amore, Maddalena; Busico, Vincenzo
| Titolo | Tipologia | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|---|
| Surface Investigation and Morphological Analysis of Structurally Disordered MgCl2 and MgCl2/TiCl4 Ziegler-Natta Catalysts | 1.1 Articolo in rivista | 2016 | D'Amore, Maddalena; Thushara, K. S.; Piovano, Alessandro; Causa, Mauro; Bordiga, Silvia; Groppo, Elena | |
| Electron Localization Function and Maximum Probability Domains analysis of semi-ionic oxides crystals, surfaces and surface defects | 1.1 Articolo in rivista | 2015 | Causa, Mauro; D'Amore, Maddalena; Gentile Francesco, Silvio; Menendez, Marcos; Calatayud, Monica | |
| Probing the coordinative unsaturation and local environment of Ti³⁺ sites in an activated high-yield Ziegler-Natta catalyst | 1.1 Articolo in rivista | 2015 | Morra, Elena; Giamello, Elio; Van Doorslaer, Sabine; Antinucci, Giuseppe; D'Amore, Maddalena; Busico, Vincenzo; Chiesa, Mario | |
| Theoretical Analysis of the Reactivity of Carbon Nanotubes: Local Versus Topological Effects | 2.1 Contributo in volume (Capitolo o Saggio) | 2013 | Massimo, Fusaro; Vincenzo, Barone; Causa', Mauro; D'Amore, Maddalena; Garzillo, Carmine | |
| Periodic Hybrid DFT Approach (Including Dispersion) to MgCl2-Supported Ziegler-Natta Catalysts. 2. Model Electron Donor Adsorption on MgCl2 Crystal Surfaces | 1.1 Articolo in rivista | 2013 | Capone, F; Rongo, Luca; D'Amore, Maddalena; Budzelaar, Petrus Henricus Maria; Busico, Vincenzo | |
| The Bond Analysis Techniques (ELF and Maximum Probability Domains) Application to a Family of Models Relevant to Bio-Inorganic ChemistryApplications of Density Functional Theory to Biological and Bioinorganic Chemistry | 2.1 Contributo in volume (Capitolo o Saggio) | 2013 | Causa', Mauro; D'Amore, Maddalena; Garzillo, Carmine; Gentile, Francesco; Andreas, Savin | |
| Effects of molecular dynamics and solvation on the electronic structure of molecular probes | 1.1 Articolo in rivista | 2012 | 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 | 1.1 Articolo in rivista | 2012 | D'Amore, Maddalena; R., Credendino; Budzelaar, Petrus Henricus Maria; Causa', Mauro; Busico, Vincenzo | |
| Latest Developments in the Periodic DFT-D Modeling of MgCl2-Supported ZN Catalysts | 4.1 Articoli in Atti di convegno | 2010 | D'Amore, Maddalena | |
| A DFT(-D) revisitation of MgCl2-supported Ziegler-Natta catalysts: the question of TiCl4 adsorption | 4.1 Articoli in Atti di convegno | 2010 | D'Amore, Maddalena; Busico, Vincenzo |
Mostrati risultati da 1 a 10 di 10
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