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GIANNOZZI, PAOLO

GIANNOZZI, PAOLO  

Istituto Officina dei Materiali - IOM -  

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Titolo Data di pubblicazione Autore(i) File
Lipase-catalysed esterification in a reactive natural deep eutectic solvent leads to lauroylcholine chloride rather than glucose ester 1-gen-2024 Buzatu, Alina Ramona; Soler, Miguel Angel; Ozkilinc, Ozge; Fortuna, Sara; Dreavă, Diana Maria; Bîtcan, Ioan; Giannozzi, Paolo; Fogolari, Federico; Gardossi, Lucia; Peter, Francisc; Todea, Anamaria; Boeriu, Carmen Gabriela
Reactive natural deep eutectic solvents increase selectivity and efficiency of lipase catalyzed esterification of carbohydrate polyols 1-gen-2024 Buzatu, Alina Ramona; Soler, Miguel Angel; Fortuna, Sara; Ozkilinc, Ozge; Dreavă, Diana Maria; Bîtcan, Ioan; Badea, Valentin; Giannozzi, Paolo; Fogolari, Federico; Gardossi, Lucia; Peter, Francisc; Todea, Anamaria; Boeriu, Carmen Gabriela
Quantum ESPRESSO: One Further Step toward the Exascale 1-gen-2023 Carnimeo, Ivan; Affinito, Fabio; Baroni, Stefano; Baseggio, Oscar; Bellentani, Laura; Bertossa, Riccardo; Delugas, Pietro Davide; Ruffino, Fabrizio Ferrari; Orlandini, Sergio; Spiga, Filippo; Giannozzi, Paolo
Engineering of metal-MoS2 contacts to overcome Fermi level pinning 1-gen-2022 Khakbaz, P.; Driussi, F.; Giannozzi, P.; Gambi, A.; Lizzit, D.; Esseni, D.
Measuring shared electrons in extended molecular systems: Covalent bonds from plane-wave representation of wave function 1-gen-2021 La Penna, G; Tiana, D; Giannozzi, P
Simulation study of Fermi level depinning in metal-MoS2 contacts 1-gen-2021 Khakbaz, P.; Driussi, F.; Giannozzi, P.; Gambi, A.; Esseni, D.
Investigation of structural, electronic and magnetic properties of breathing metal–organic framework MIL-47(Mn): a first principles approach 1-gen-2020 Hosseini, Mohammadreza; Vanpoucke, Danny E. P.; Giannozzi, Paolo; Berahman, Masoud; Hadipour, Nasser
Quantum ESPRESSO toward the exascale 1-gen-2020 Giannozzi, P.; Baseggio, O.; Bonfà, P.; Brunato, D.; Car, R.; Carnimeo, I.; Cavazzoni, C.; De Gironcoli, S.; Delugas, P.; Ferrari Ruffino, F.; Ferretti, A.; Marzari, N.; Timrov, I.; Urru, A.; Baroni, S.
Photocatalytic and Photovoltaic Properties of TiO2 Nanoparticles Investigated by Ab Initio Simulations 1-gen-2014 Mattioli, Giuseppe; Bonapasta Aldo, Amore; Bovi, Daniele; Giannozzi, Paolo
Carbonyl group generation on single-wall carbon nanotubes with nitric acid: A theoretical description 1-gen-2013 Da Silva Antonio, M Jr; Dos Santos Helio, F; Giannozzi, Paolo
Reaction Pathways for Oxygen Evolution Promoted by Cobalt Catalyst 1-gen-2013 Mattioli, Giuseppe; Giannozzi, Paolo; AMORE BONAPASTA, Aldo; Guidonili, Leonardo
The interactions of nitrogen dioxide with graphene-stabilized Rh clusters: a DFT study 1-gen-2013 Furlan, Sara; Giannozzi, Paolo
A Hybrid Zinc Phthalocyanine / Zinc Oxide System for Photovoltaic devices: a DFT and TD-DFPT Theoretical Investigation 1-gen-2012 G. Mattioli; F. Filippone; P. Alippi; P. Giannozzi; A. Amore Bonapasta
Zinc Oxide-Zinc Phthalocyanine interface for Hybrid Solar Cells 1-gen-2012 Mattioli, Giuseppe; Melis, Claudio; Malloci, Giuliano; Filippone, Francesco; Alippi, Paola; Giannozzi, Paolo; Mattoni, Alessandro; AMORE BONAPASTA, Aldo
Quantitative local environment characterization in amorphous oxides 1-gen-2010 Amezaga, Alexis; Holmstroem, Erik; Lizarraga, Raquel; Menendezproupin, Eduardo; Bartoloperez, P; Giannozzi, Paolo
Gas adsorption on graphene doped with B, N, Al, S: a theoretical study 1-gen-2009 Dai, J; Yuan, J; Giannozzi, P
QUANTUM ESPRESSO: A modular and open-source software project for quantum simulations of materials 1-gen-2009 Giannozzi, P; Baroni, S; Bonini, N; Calandra, M; Car, R; Cavazzoni, C; Ceresoli, D; L Chiarotti, G; Cococcioni, M; Dabo, I; DAL CORSO, Andrea; Fabris, S; Fratesi, G; DE GIRONCOLI, STEFANO MARIA; Gebauer, R; Gerstmann, U; Gougoussis, C; Kokalj, A; Lazzeri, M; Martinsamos, L; Marzari, N; Mauri, F; Mazzarello, R; Paolini, S; Pasquarello, A; Paulatto, L; Sbraccia, C; Scandolo, S; Sclauzero, G; P Seitsonen, A; Smogunov, A; Umari, P; M Wentzcovitch, R
Theoretical design of coupled organic-inorganic systems 1-gen-2008 Mattioli, G ,; Filippone, F ; Giannozzi, P ; Caminiti, R ; Amore Bonapasta, A
Theory of hydrogen complexes in MnxGa1-xAs dilute magnetic semiconductors 1-gen-2006 Giannozzi, P; Filippone, F; Bonapasta, Aa
First-principles codes for Computational Crystallography in the Quantum-ESPRESSO package 1-gen-2005 Scandolo, S; Giannozzi, P; Cavazzoni, C; DE GIRONCOLI, STEFANO MARIA; Pasquarello, A; Baroni, S