CAPPELLI, Chiara

CAPPELLI, Chiara  

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Risultati 1 - 20 di 163 (tempo di esecuzione: 0.031 secondi).
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 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 2014 EGIDI, FRANCOCAPPELLI, ChiaraBARONE, Vincenzo + 1.1 Articolo in rivista
A Classical Picture of Subnanometer Junctions: an Atomistic Drude Approach to Nanoplasmonics 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 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 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 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 2005 CAPPELLI, Chiara + 1.1 Articolo in rivista
A computational study of some electric and magnetic properties of gaseous BF3 and BCl3 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) 2008 RIZZO, ACAPPELLI, CCORIANI, S + 1.1 Articolo in rivista
A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: General three-layer model, computational implementation and pilot applications 2013 BARONE, VincenzoChiara Cappelli + 1.1 Articolo in rivista
A General Route to Include Pauli Repulsion and Quantum Dispersion Effects in QM/MM Approaches 2017 GIOVANNINI, TOMMASOLAFIOSCA, PieroCAPPELLI, Chiara 1.1 Articolo in rivista
A molecular twist on hydrophobicity 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 2018 Giovannini, TommasoAMBROSETTI, MatteoCappelli, 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 quantum mechanical Polarizable Continuum Model approach to the Kerr effect of pure liquids 2005 CAPPELLI, Chiara + 1.1 Articolo in rivista
A quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase 2007 CAPPELLI, 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
Absorption Properties of Large Complex Molecular Systems: The DFTB/Fluctuating Charge Approach 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 2013 Cappelli, CBARONE, Vincenzo + 4.2 Abstract in Atti di convegno
Absorption spectra of xanthines in aqueous solution: A computational study 2020 Gomez S.Giovannini T.Cappelli C. 1.1 Articolo in rivista