CAPPELLI, Chiara

CAPPELLI, Chiara  

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Titolo Data di pubblicazione Autori Tipo File
A 4,4′-bis(2-benzoxazolyl)stilbene luminescent probe: Assessment of aggregate formation through photophysics experiments and quantum-chemical calculations 1-gen-2018 Ambrosetti, MatteoCappelli, ChiaraPucci, Andrea + 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
A Classical Picture of Subnanometer Junctions: an Atomistic Drude Approach to Nanoplasmonics 1-gen-2019 Giovannini, TommasoCORNI, StefanoCappelli, Chiara + 1.1 Articolo in rivista
A Combination of Transient 2D-IR Experiments and ab initio Computations Sheds Light on the Formation of the Charge-Transfer State in Photoexcited Carbonyl Carotenoids 1-gen-2014 CAPPELLI, 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
A computational approach to the resonance Raman spectrum of doxorubicin in aqueous solution 1-gen-2016 MANCINI, GIORDANOCAPPELLI, Chiara + 1.1 Articolo in rivista
A Computational Study of Conformational and Chiroptical Properties of (2R,3S,4R)- (+)-3,3’,4,4’,7-flavanpentol 1-gen-2005 CAPPELLI, Chiara + 1.1 Articolo in rivista
A computational study of some electric and magnetic properties of gaseous BF3 and BCl3 1-gen-2005 CAPPELLI, Chiara + 1.1 Articolo in rivista
A computational study of some electric and magnetic properties of gaseous BF3 and BCl3 (vol 123, artn no 114307, 2005) 1-gen-2008 RIZZO, ACAPPELLI, CCORIANI, S + 1.1 Articolo in rivista
A General Route to Include Pauli Repulsion and Quantum Dispersion Effects in QM/MM Approaches 1-gen-2017 GIOVANNINI, TOMMASOLAFIOSCA, PieroCAPPELLI, Chiara 1.1 Articolo in rivista
A molecular twist on hydrophobicity 1-gen-2021 Gomez S.Cappelli C. + 1.1 Articolo in rivista
A polarizable embedding approach to second harmonic generation (SHG) of molecular systems in aqueous solutions 1-gen-2018 Giovannini, TommasoAMBROSETTI, MatteoCappelli, Chiara 1.1 Articolo in rivista
A polarizable three-layer frozen density embedding/molecular mechanics approach 1-gen-2021 Egidi, FrancoAngelico, SaraLafiosca, PieroGiovannini, TommasoCappelli, Chiara 1.1 Articolo in rivista
A quantum mechanical Polarizable Continuum Model approach to the Kerr effect of pure liquids 1-gen-2005 CAPPELLI, Chiara + 1.1 Articolo in rivista
A quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase 1-gen-2007 CAPPELLI, 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 in solution with the EOM-CCSD method and a classical polarizable explicit/implicit solvation model 1-gen-2013 Cappelli, CBARONE, Vincenzo + 4.2 Abstract in Atti di convegno
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
An ab-initio study of the magneto-optical rotation of diastereoisomers 1-gen-2008 CAPPELLI, Chiara + 1.1 Articolo in rivista