EGIDI, FRANCO

EGIDI, FRANCO  

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Titolo Data di pubblicazione Autori Tipo File
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 1-gen-2014 EGIDI, FRANCOJulien BloinoBARONE, Vincenzo + 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 1-gen-2013 Barone, VincenzoBiczysko, MalgorzataBloino, JulienEgidi, FrancoPuzzarini, Cristina 1.1 Articolo in rivista
Amide Spectral Fingerprints are Hydrogen Bonding-Mediated 1-gen-2022 Gómez, SaraEgidi, FrancoGiovannini, TommasoCappelli, Chiara + 1.1 Articolo in rivista
A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule 1-gen-2014 EGIDI, FRANCOCAPPELLI, ChiaraBARONE, Vincenzo + 1.1 Articolo in rivista
Binding of SARS-CoV-2 to cell receptors: a tale of molecular evolution 1-gen-2020 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 1-gen-2020 Marrazzini, GioiaGiovannini, TommasoEgidi, FrancoCappelli, Chiara 1.1 Articolo in rivista
Calculation of Molecular Properties in Solution 1-gen-2015 EGIDI, FRANCOCAPPELLI, Chiara 2.1 Contributo in volume (Capitolo o Saggio)
A combined experimental and theoretical study of optical rotatory dispersion for (R)-glycidyl methyl ether in aqueous solution 1-gen-2018 Egidi, FrancoGiovannini, TommasoDel Frate, GianlucaVACCARO, Patrick HenryCappelli, Chiara + 1.1 Articolo in rivista
Computational simulation of vibrationally resolved spectra for spin-forbidden transitions 1-gen-2018 Egidi, FrancoFusè, MarcoBaiardi, AlbertoBloino, JulienBarone, Vincenzo + 1.1 Articolo in rivista
The consequences of improperly describing oscillator strengths beyond the electric dipole approximation 1-gen-2015 Egidi, Franco + 1.1 Articolo in rivista
Current development of noncollinear electronic structure theory 1-gen-2018 Egidi, Franco + 1.1 Articolo in rivista
Development of a Virtual Spectrometer for Chiroptical Spectroscopies: The Case of Nicotine 1-gen-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 1-gen-2016 Egidi, Franco + 1.1 Articolo in rivista
Effective Inclusion of Mechanical and Electrical Anharmonicity in Excited Electronic States: VPT2-TDDFT Route 1-gen-2017 Egidi, FrancoBaiardi, AlbertoBloino, JulienScalmani, GiovanniBarone, Vincenzo + 1.1 Articolo in rivista
An efficient and robust procedure to calculate absorption spectra of aqueous charged species applied to NO2− 1-gen-2021 Giovannini T.Egidi F. + 1.1 Articolo in rivista
The Electronic Circular Dichroism of Nicotine in Aqueous Solution: a Test Case for Continuum and Explicit-Continuum approaches 1-gen-2015 F. EgidiMANCINI, GIORDANOCAPPELLI, Chiara + 1.1 Articolo in rivista
General strategy for computing nonlinear optical properties of large neutral and cationic organic chromophores in solution 1-gen-2015 Egidi, FrancoBarone, Vincenzo + 1.1 Articolo in rivista
Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS-Draw tool 1-gen-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 1-gen-2016 Egidi, FrancoBarone, VincenzoANDREONI, WANDA + 1.1 Articolo in rivista
Molecular spectroscopy of aqueous solutions: a theoretical perspective 1-gen-2020 Giovannini, TommasoEgidi, FrancoCappelli, Chiara 1.1 Articolo in rivista