EGIDI, Franco

EGIDI, Franco  

Classe di Scienze  

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Risultati 1 - 20 di 43 (tempo di esecuzione: 0.037 secondi).
Titolo Data di pubblicazione Autori Tipo File
A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule 2014 EGIDI, FRANCOCAPPELLI, ChiaraBARONE, Vincenzo + 1.1 Articolo in rivista
A combined experimental and theoretical study of optical rotatory dispersion for (R)-glycidyl methyl ether in aqueous solution 2018 Egidi, FrancoGiovannini, TommasoDel Frate, GianlucaVACCARO, Patrick HenryCappelli, Chiara + 1.1 Articolo in rivista
A polarizable three-layer frozen density embedding/molecular mechanics approach 2021 Egidi, FrancoAngelico, SaraLafiosca, PieroGiovannini, TommasoCappelli, Chiara 1.1 Articolo in rivista
A Robust and Effective Time-Independent Route to the Calculation of Resonance Raman Spectra of Large Molecules in Condensed Phases with the Inclusion of Duschinsky, Herzberg–Teller, Anharmonic, and Environmental Effects 2014 EGIDI, FRANCOJulien BloinoBARONE, VincenzoChiara Cappelli 1.1 Articolo in rivista
Accurate structure, thermodynamics, and spectroscopy of medium-sized radicals by hybrid coupled cluster/density functional theory approaches: The case of phenyl radical 2013 Barone, VincenzoBiczysko, MalgorzataBloino, JulienEgidi, FrancoPuzzarini, Cristina 1.1 Articolo in rivista
Amide Spectral Fingerprints are Hydrogen Bonding-Mediated 2022 Gómez, SaraEgidi, FrancoGiovannini, TommasoCappelli, Chiara + 1.1 Articolo in rivista
An efficient and robust procedure to calculate absorption spectra of aqueous charged species applied to NO2− 2021 Giovannini T.Egidi F. + 1.1 Articolo in rivista
Binding of SARS-CoV-2 to cell receptors: a tale of molecular evolution 2021 Gomez, SaraEgidi, FrancoCappelli, Chiara + 1.1 Articolo in rivista
Calculation of Linear and Non-linear Electric Response Properties of Systems in Aqueous Solution: A Polarizable Quantum/Classical Approach with Quantum Repulsion Effects 2020 Marrazzini, GioiaGiovannini, TommasoEgidi, FrancoCappelli, Chiara 1.1 Articolo in rivista
Calculation of Molecular Properties in Solution 2015 EGIDI, FRANCOCAPPELLI, Chiara 2.1 Contributo in volume (Capitolo o Saggio)
Computational hints for the simultaneous spectroscopic detection of common contaminants in water 2022 Sara GómezFranco EgidiTommaso Giovannini + 1.1 Articolo in rivista
Computational simulation of vibrationally resolved spectra for spin-forbidden transitions 2018 Egidi, FrancoFusè, MarcoBaiardi, AlbertoBloino, JulienBarone, Vincenzo + 1.1 Articolo in rivista
Current development of noncollinear electronic structure theory 2018 Egidi, Franco + 1.1 Articolo in rivista
Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine 2013 EGIDI, FRANCOJ. BloinoCAPPELLI, ChiaraBARONE, Vincenzo 1.1 Articolo in rivista
Direct Atomic-Orbital-Based Relativistic Two-Component Linear Response Method for Calculating Excited-State Fine Structures 2016 Egidi, Franco + 1.1 Articolo in rivista
Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route 2017 Egidi, FrancoBaiardi, AlbertoBloino, JulienScalmani, GiovanniBarone, Vincenzo + 1.1 Articolo in rivista
General strategy for computing nonlinear optical properties of large neutral and cationic organic chromophores in solution 2015 Egidi, FrancoBarone, Vincenzo + 1.1 Articolo in rivista
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool 2015 LICARI, DANIELEBAIARDI, ALBERTOBICZYSKO, MALGORZATA AGNIESZKAEGIDI, FRANCOLATOUCHE, CAMILLEBARONE, Vincenzo 1.1 Articolo in rivista
Low-lying electronic excitations of a water-soluble BODIPY: from the gas phase to the solvated molecule 2016 Egidi, FrancoBarone, VincenzoANDREONI, WANDA + 1.1 Articolo in rivista
Molecular spectroscopy of aqueous solutions: a theoretical perspective 2020 Giovannini, TommasoEgidi, FrancoCappelli, Chiara 1.1 Articolo in rivista