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Journal of the American Chemical Society|January 26, 2006
Periodic and high-temperature disordered conformations of polytetrafluoroethylene chains: an ab initio modelingMaddalena D'Amore, Giovanni Talarico, Vincenzo Barone
Materials (Basel, Switzerland)|February 15, 2022
Effect of Internal Donors on Raman and IR Spectroscopic Fingerprints of MgCl<sub>2</sub>/TiCl<sub>4</sub> Nanoclusters Determined by Machine Learning and DFTMaddalena D'Amore, Toshiaki Taniike, Minoru Terano, et al.
Nanomaterials (Basel, Switzerland)|June 10, 2022
Disordered Rock-Salt Type Li<sub>2</sub>TiS<sub>3</sub> as Novel Cathode for LIBs: A Computational Point of ViewRiccardo Rocca, Mauro Francesco Sgroi, Bruno Camino, et al.
Nanomaterials (Basel, Switzerland)|December 8, 2023
Computational Understanding of Delithiation, Overlithiation, and Transport Properties in Disordered Cubic Rock-Salt Type Li<sub>2</sub>TiS<sub>3</sub>Riccardo Rocca, Mauro Francesco Sgroi, Maddalena D'amore, et al.
Physical Chemistry Chemical Physics : PCCP|September 17, 2019
Nitrogen substitutional defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational propertiesAlexander Platonenko, Francesco Silvio Gentile, Fabien Pascale, et al.
Physical Chemistry Chemical Physics : PCCP|October 6, 2021
The NV<sup>-</sup>N<sup>+</sup> charged pair in diamond: a quantum-mechanical investigationAnna Maria Ferrari, Khaled E El-Kelany, Francesco Silvio Gentile, et al.
Nanomaterials (Basel, Switzerland)|August 26, 2022
Computational Characterization of β-Li<sub>3</sub>PS<sub>4</sub> Solid Electrolyte: From Bulk and Surfaces to NanocrystalsNaiara Leticia Marana, Mauro Francesco Sgroi, Lorenzo Maschio, et al.
ACS Omega|August 4, 2025
Porosity Local Analysis (PoLA): A New Approach to Describe the Porous Volume Distribution in Amorphous CarbonsAlberto Zoccante, Maddalena D'Amore, Ciro Achille Guido, et al.
Angewandte Chemie (International Ed. in English)|February 24, 2015
Probing the coordinative unsaturation and local environment of Ti³⁺ sites in an activated high-yield Ziegler-Natta catalystElena Morra, Elio Giamello, Sabine Van Doorslaer, et al.
Physical Chemistry Chemical Physics : PCCP|June 29, 2018
On the structure of superbasic (MgO)<sub>n</sub> sites solvated in a faujasite zeoliteJenny G Vitillo, Torstein Fjermestad, Maddalena D'Amore, et al.
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