GIOVANNINI, TOMMASO

GIOVANNINI, TOMMASO  

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Risultati 1 - 20 di 46 (tempo di esecuzione: 0.025 secondi).
Titolo Data di pubblicazione Autori Tipo File
A Classical Picture of Subnanometer Junctions: an Atomistic Drude Approach to Nanoplasmonics 1-gen-2019 Giovannini, TommasoCORNI, StefanoCappelli, Chiara + 1.1 Articolo in rivista
Absorption Properties of Large Complex Molecular Systems: The DFTB/Fluctuating Charge Approach 1-gen-2022 Lafiosca P.Gomez S.Giovannini T.Cappelli C. 1.1 Articolo in rivista
Absorption spectra of xanthines in aqueous solution: A computational study 1-gen-2020 Gomez S.Giovannini T.Cappelli C. 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
Calculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles 1-gen-2019 Giovannini T.GRAZIOLI, LauraAmbrosetti M.Cappelli C. 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
Can the Resonance Raman Optical Activity Spectrum Display Sign Alternation? 1-gen-2016 GIOVANNINI, TOMMASOCAPPELLI, Chiara + 1.1 Articolo in rivista
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
Combining multilevel Hartree-Fock and multilevel coupled cluster approaches with molecular mechanics: a study of electronic excitations in solutions 1-gen-2021 Goletto L.Giovannini T.Koch H. + 1.1 Articolo in rivista
Computational hints for the simultaneous spectroscopic detection of common contaminants in water 1-gen-2022 Sara GómezTommaso Giovannini + 1.1 Articolo in rivista
Development of fully atomistic approaches to model response properties of complex systems 25-gen-2019 Giovannini, Tommaso Doctoral Thesis
Do We Really Need Quantum Mechanics to Describe Plasmonic Properties of Metal Nanostructures? 1-gen-2022 Giovannini T.Bonatti L.Lafiosca P.Nicoli L.Castagnola M.Corni S.Cappelli C. + 1.1 Articolo in rivista
E T1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods 1-gen-2020 Balbi A.Coriani S.Giovannini T.Goletto L.Hutcheson A.Moitra T.Scavino M.Koch H. + 1.1 Articolo in rivista
Effective Computational Route to Vibrational Optical Activity Spectra of Chiral Molecules in Aqueous Solution 1-gen-2018 Giovannini, TommasoDel Frate, GianlucaLafiosca, PieroCappelli, Chiara 1.1 Articolo in rivista
An Effective Fully Polarizable QM/MM Approach to Model Vibrational Circular Dichroism Spectra of Systems in Aqueous Solutions 1-gen-2016 GIOVANNINI, TOMMASOCAPPELLI, Chiara + 1.1 Articolo in rivista
Effective yet Reliable Computation of EPR Spectra in Solution by a QM/MM Approach: Interplay between Electrostatics and Non-electrostatic Effects 25-mar-2019 Cappelli, ChiaraChandramouli, BalasubramanianGiovannini, TommasoLafiosca, PieroBarone, Vincenzo 1.1 Articolo in rivista
Effective yet reliable computation of hyperfine coupling constants in solution by a QM/MM approach: Interplay between electrostatics and non-electrostatic effects 1-gen-2019 Giovannini, TommasoLafiosca, PieroChandramouli, BalasubramanianBarone, VincenzoCappelli, Chiara 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
Electronic transitions for a fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles: Linear and corrected linear response regimes 1-gen-2019 Giovannini, TommasoRISO, Rosario RobertoAmbrosetti, MatteoPuglisi, AlessandraCappelli, Chiara 1.1 Articolo in rivista
Energy-Based Molecular Orbital Localization in a Specific Spatial Region 1-gen-2020 Tommaso GiovanniniHenrik Koch 1.1 Articolo in rivista