UMARI, PAOLO
UMARI, PAOLO
Dipartimento di Fisica e Astronomia "Galileo Galilei" - DFA
Detailed mechanism of DNA/RNA nucleobase substituting bridging ligand in diruthenium (II,III) and dirhodium (II,II) tetraacetato paddlewheel complexes: Protonation of the leaving acetate is crucial
2024 Tolbatov, Iogann; Marzo, Tiziano; Umari, Paolo; La Mendola, Diego; Marrone, Alessandro
Deterministic and Faster GW Calculations with a Reduced Number of Valence States: O(N2 ln N) Scaling in the Plane-Waves Formalism
2024 Cigagna, Simone; Menegatti, Giacomo; Umari, Paolo
Dimolybdenum (II,II) paddlewheel complexes bearing non-steroidal anti-inflammatory drug ligands: Insights into the chemico-physical profile and first biological assessment
2024 Chiaverini, Lorenzo; Notarstefano, Valentina; Tolbatov, Iogann; Umari, Paolo; Giorgini, Elisabetta; Ciccone, Lidia; Di Leo, Riccardo; Trincavelli, Letizia; Giacomelli, Chiara; Marchetti, Laura; Marzo, Tiziano; La Mendola, Diego; Marrone, Alessandro
Diruthenium Paddlewheel Complexes Attacking Proteins: Axial Versus Equatorial Coordination
2024 Tolbatov, Iogann; Umari, Paolo; Marrone, Alessandro
Mechanism of Action of Antitumor Au(I) N-Heterocyclic Carbene Complexes: A Computational Insight on the Targeting of TrxR Selenocysteine
2024 Tolbatov, Iogann; Umari, Paolo; Marrone, Alessandro
Out-of-plane optical conductivity measured in bilayer graphene
2024 He, Yu; Ferraro, Davide; Xu, Zhemi; Cobelli, Leonardo; Dell'Anna, Luca; Martucci, Alessandro; Umari, Paolo; Merano, Michele
The binding of auranofin at DNA/RNA nucleobases: A DFT assessment
2024 Tolbatov, I.; Umari, P.; Marzo, T.; Chiaverini, L.; La Mendola, D.; Marrone, A.
The binding of diruthenium (II,III) and dirhodium (II,II) paddlewheel complexes at DNA/RNA nucleobases: Computational evidences of an appreciable selectivity toward the AU base pairs
2024 Tolbatov, Iogann; Umari, Paolo; Marrone, Alessandro
Trifurcated Splitting of Water Droplets on Engineered Lithium Niobate Surfaces
2024 Cremaschini, Sebastian; Cattelan, Alberto; Ferraro, Davide; Filippi, Daniele; Marinello, Filippo; Meggiolaro, Alessio; Pierno, Matteo; Sada, Cinzia; Zaltron, Annamaria; Umari, Paolo; Mistura, Giampaolo
Photoelectrochemical C−H Activation Through a Quinacridone Dye Enabling Proton-Coupled Electron Transfer
2023 Yang, Y.; Volpato, G. A.; Rossin, E.; Peruffo, N.; Tumbarello, F.; Nicoletti, C.; Bonetto, R.; Paoloni, L.; Umari, P.; Colusso, E.; Dell'Amico, L.; Berardi, S.; Collini, E.; Caramori, S.; Agnoli, S.; Sartorel, A.
A Fully Linear Response G0W0Method That Scales Linearly up to Tens of Thousands of Cores
2022 Umari, P.
Inclusion of infrared dielectric screening in the GW method from polaron energies to charge mobilities
2022 Umari, P
Optical van-der-Waals forces in molecules: from electronic Bethe-Salpeter calculations to the many-body dispersion model
2022 Ambrosetti, Alberto; Umari, Paolo; Silvestrelli, PIER LUIGI; Elliott, Joshua; Tkatchenko, Alexandre
Artificial photosynthesis: photoanodes based on polyquinoid dyes onto mesoporous tin oxide surface
2021 Volpato, G. A.; Colusso, E.; Paoloni, L.; Forchetta, M.; Sgarbossa, F.; Cristino, V.; Lunardon, M.; Berardi, S.; Caramori, S.; Agnoli, S.; Sabuzi, F.; Umari, P.; Martucci, A.; Galloni, P.; Sartorel, A.
Bethe-Salpeter equation approach with electron-phonon coupling for exciton binding energies
2021 Adamska, L.; Umari, P.
Optical detection of the susceptibility tensor in two-dimensional crystals
2021 Xu, Z.; Ferraro, D.; Zaltron, A.; Galvanetto, N.; Martucci, A.; Sun, L.; Yang, P.; Zhang, Y.; Wang, Y.; Liu, Z.; Elliott, J. D.; Marsili, M.; Dell'Anna, L.; Umari, P.; Merano, M.
Real space-real time evolution of excitonic states based on the bethe-salpeter equation method
2021 Elliott, J. D.; Mosconi, E.; De Angelis, F.; Ambrosetti, A.; Umari, P.
The GW Method for Excited States Calculations
2021 Umari, Paolo
Surface susceptibility and conductivity of MoS2 and WSe2 monolayers: A first-principles and ellipsometry characterization
2020 Elliott, J. D.; Xu, Z.; Umari, P.; Jayaswal, G.; Chen, M.; Zhang, X.; Martucci, A.; Marsili, M.; Merano, M.
Transition Dipole Moments of n = 1, 2, and 3 Perovskite Quantum Wells from the Optical Stark Effect and Many-Body Perturbation Theory
2020 Proppe, A. H.; Walters, G. W.; Alsalloum, A. Y.; Zhumekenov, A. A.; Mosconi, E.; Kelley, S. O.; De Angelis, F.; Adamska, L.; Umari, P.; Bakr, O. M.; Sargent, E. H.