MAHMOUD, AGNES NORA
MAHMOUD, AGNES NORA
CHIMICA
Ab initio investigation of electronic and vibrational contributions to linear and nonlinear dielectric properties of ice
2014-01-01 S. Casassa; J. Baima; A. Mahmoud; B. Kirtman
Ab Initio Simulation of ZnO/LaMnO3Heterojunctions: Insights into Their Structural and Electronic Properties
2017-01-01 Mahmoud, Agnes; Maschio, Lorenzo; Sgroi, Mauro Francesco; Pullini, Daniele; Ferrari, Anna Maria
Elastic properties of six silicate garnet end members from accurate ab initio simulations.
2014-01-01 A. Erba; A. Mahmoud; R. Orlando; R. Dovesi
High pressure elastic properties of minerals from ab initio simulations: The case of pyrope, grossular and andradite silicate garnets.
2014-01-01 A. Erba; A. Mahmoud; D. Belmonte; R. Dovesi
Hydrogrossular, Ca3Al2(SiO4)3-x(H4O4)x: An ab initio investigation of its structural and energetic properties
2015-01-01 Lacivita, Valentina; Mahmoud, Agnes; Erba, Alessandro; D'Arco, Philippe; Mustapha, Sami
Low-temperature phase of BaTiO3: Piezoelectric, dielectric, elastic, and photoelastic properties from ab initio simulations
2014-01-01 A. Mahmoud; A. Erba; Kh. E. El-Kelany; M. Rérat; R. Orlando
One step toward a new generation of C-MOS compatible oxide p-n junctions: Structure of the LSMO/ZnO interface elucidated by an experimental and theoretical synergic work
2017-01-01 Pullini, Daniele; Sgroi, Mauro Francesco; Mahmoud, Agnes Nora; Gauquelin, Nicolas; Maschio, Lorenzo; Ferrari, Anna Maria; Groenen, Rik; Damen, Cas; Rijnders, Guus; van den Bos, Karel H W; Van Aert, Sandra; Verbeeck, Johan
Pressure Effect on Elastic Anisotropy of Crystals from Ab initio Simulations: The Case of Silicate Garnets.
2014-01-01 A. Mahmoud; A. Erba; K. Doll; R. Dovesi
The Raman spectrum of grossular garnet: a quantum mechanical simulation of wavenumbers and intensities
2014-01-01 L. Maschio; R. Demichelis; R. Orlando;M. De La Pierre;A. Mahmoud;R. Dovesi