Chiara Cappelli
Scuola Normale Superiore di Pisa
H-index: 46
Europe-Italy
Top articles of Chiara Cappelli
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Deciphering the structure of deep eutectic solvents: A Computational Study from the solute's viewpoint | Journal of Molecular Liquids | Chiara Sepali Sulejman Skoko Luca Guglielmero Tommaso Giovannini Andrea Mezzetta | 2024/2/28 |
Close-Up Look at Electronic Spectroscopic Signatures of Common Pharmaceuticals in Solution | The Journal of Physical Chemistry B | Sara Gómez Matteo Ambrosetti Tommaso Giovannini Chiara Cappelli | 2024/2/28 |
Effective fully polarizable QM/MM approaches to compute Raman and Raman Optical Activity spectra in aqueous solution | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | Chiara Sepali Piero Lafiosca Sara Gómez Tommaso Giovannini Chiara Cappelli | 2024/1/15 |
Interactions and reactivity in crystalline intermediates of mechanochemical cyclorhodation reactions | Physical Chemistry Chemical Physics | Sara Gómez Santiago Gómez Natalia Rojas-Valencia José G Hernández Karen J Ardila-Fierro | 2024 |
Computational Insights into the Adsorption of Ligands on Gold Nanosurfaces | The Journal of Physical Chemistry A | Sveva Sodomaco Sara Gómez Tommaso Giovannini Chiara Cappelli | 2023/11/22 |
Uv-resonance Raman spectra of systems in complex environments: A multiscale modeling applied to doxorubicin intercalated into dna | Journal of Chemical Information and Modeling | Sara Gómez Piero Lafiosca Franco Egidi Tommaso Giovannini Chiara Cappelli | 2023/2/6 |
Towards a cost-effective modeling of fluorescence in the condensed phase | Dyes and Pigments | Sulejman Skoko Cosimo Micheletti Emanuele Grifoni Franco Egidi Tommaso Giovannini | 2023/7/1 |
Strain-induced plasmon confinement in polycrystalline graphene | ACS photonics | Simone Zanotto Luca Bonatti Maria F Pantano Vaidotas Miseikis Giorgio Speranza | 2023/1/12 |
Fully atomistic modeling of plasmonic bimetallic nanoparticles: nanoalloys and core-shell systems | Frontiers in Photonics | Luca Nicoli Piero Lafiosca Pablo Grobas Illobre Luca Bonatti Tommaso Giovannini | 2023/6/16 |
Mixed quantum/classical approach to surface-enhanced spectroscopies | Tommaso Giovannini Chiara Cappelli | 2023 | |
Qm/classical modeling of surface enhanced Raman scattering based on atomistic electromagnetic models | Journal of Chemical Theory and Computation | Piero Lafiosca Luca Nicoli Luca Bonatti Tommaso Giovannini Stefano Corni | 2023/6/6 |
rsc. li/chemcomm | Chem. Commun | Yoshito Tobe Kazukuni Tahara Steven De Feyter Jiang Wu Anurag Noonikara-Poyil | 2021 |
Water Maintains the UV–Vis Spectral Features During the Insertion of Anionic Naproxen and Ibuprofen into Model Cell Membranes | The Journal of Physical Chemistry B | Natalia Rojas-Valencia Sara Gómez Tommaso Giovannini Chiara Cappelli Albeiro Restrepo | 2023/3/6 |
Multiscale Frozen Density Embedding/Molecular Mechanics Approach for Simulating Magnetic Response Properties of Solvated Systems | Journal of Chemical Theory and Computation | Piero Lafiosca Federico Rossi Franco Egidi Tommaso Giovannini Chiara Cappelli | 2023/12/18 |
Continuum vs. atomistic approaches to computational spectroscopy of solvated systems | Tommaso Giovannini Chiara Cappelli | 2023 | |
Integrated multiscale multilevel approach to open shell molecular systems | Journal of Chemical Theory and Computation | Tommaso Giovannini Gioia Marrazzini Marco Scavino Henrik Koch Chiara Cappelli | 2023/2/13 |
Absorption properties of large complex molecular systems: the DFTB/fluctuating charge approach | Journal of Chemical Theory and Computation | Piero Lafiosca Sara Gómez Tommaso Giovannini Chiara Cappelli | 2022/2/20 |
In silico design of graphene plasmonic hot-spots | Nanoscale Advances | Luca Bonatti Luca Nicoli Tommaso Giovannini Chiara Cappelli | 2022 |
Polarizable atomistic approaches to model electronic properties of complex molecular systems | Matteo Ambrosetti | 2022/7/25 | |
Dissecting Bonding Interactions in Cysteine Dimers | Molecules | Santiago Gómez Sara Gómez Jorge David Doris Guerra Chiara Cappelli | 2022/12/7 |
