D'AMORE, MADDALENA
D'AMORE, MADDALENA
Dipartimento di Scienze e Innovazione Tecnologica
A computational study of the negative LiIn modified anode and its interaction with β-Li3PS4 solid-electrolyte for battery applications
2024-01-01 Marana, Naiara Leticia; Silveri, Fabrizio; de Oliveira Gomes, Eduardo; Donà, Lorenzo; D'Amore, Maddalena; Ascrizzi, Eleonora; Sgroi, Mauro Francesco; Maschio, Lorenzo; Ferrari, Anna Maria
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
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
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
Characterization of the negatively charged NV defect through the spin density distribution and the hyperfine coupling constants
2022-01-01 Ferrari, Am.; El-Kelany, K E; Gentile, F S; D'Amore, M; Romeo, E; Dovesi, R
Characterization of the negatively charged NV defect through the spin density distribution and the hyperfine coupling constants
2022-01-01 Ferrari, A. M.; El-Kelany, K. E.; Gentile, F. S.; D'Amore, M.; Romeo, E.; Dovesi, R.
Computational Characterization of β-Li3PS4 Solid Electrolyte: From Bulk and Surfaces to Nanocrystals
2022-01-01 Marana, Naiara Leticia; Sgroi, Mauro Francesco; Maschio, Lorenzo; Ferrari, Anna Maria; D'Amore, Maddalena; Casassa, Silvia
Computational Understanding of Delithiation, Overlithiation, and Transport Properties in Disordered Cubic Rock-Salt Type Li2TiS3
2023-01-01 Rocca, Riccardo; Sgroi, Mauro Francesco; D’Amore, Maddalena; Li Pira, Nello; Ferrari, Anna Maria
Conformational behavior and magnetic properties of a nitroxide amino acid derivative in vacuo and in aqueous solution
2003-01-01 R., Improta; D'Amore, M
Disordered chain conformations of polytetrafluoroethylene in the high temperature crystalline form I
2004-01-01 D'Amore, M; F., Auriemma; C., DE ROSA; V., Barone
Disordered Rock-Salt Type Li2TiS3 as Novel Cathode for LIBs: A Computational Point of View
2022-01-01 Rocca, R.; Sgroi, M. F.; Camino, B.; D'Amore, M.; Ferrari, A. M.
Disordered Rock-Salt Type Li2TiS3 as Novel Cathode for LIBs: A Computational Point of View
2022-01-01 Rocca, R; Sgroi, M F; Camino, B; D'Amore, M; Ferrari, A M
Effect of Internal Donors on Raman and IR Spectroscopic Fingerprints of MgCl2/TiCl4 Nanoclusters Determined by Machine Learning and DFT
2022-01-01 D’Amore, Maddalena; Taniike, Toshiaki; Terano, Minoru; Ferrari, Anna Maria
Effect of Internal Donors on Raman and IR Spectroscopic Fingerprints of MgCl2/TiCl4 Nanoclusters Determined by Machine Learning and DFT
2022-01-01 D'Amore, M; Taniike, T; Terano, M; Ferrari, ; A, M
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
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
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.
From symmetry breaking in the bulk to phase transitions at the surface: a quantum-mechanical exploration of Li6PS5Cl argyrodite superionic conductor
2022-01-01 D'Amore, Maddalena; Daga, Loredana Edith; Rocca, Riccardo; Sgroi, Mauro Francesco; Marana, Naiara Leticia; Casassa, Silvia Maria; Maschio, Lorenzo; Ferrari, Anna Maria
Inelastic Neutron Scattering Investigation of MgCl2Nanoparticle-Based Ziegler-Natta Catalysts for Olefin Polymerization
2020-01-01 D'Amore, M.; Piovano, A.; Vottero, E.; Piovano, A.; Rudic, S.; Erba, A.; Groppo, E.; Civalleri, B.
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