Chiara Cappelli

Scopus Author ID ResearcherID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 75

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry. B

Molecules (Basel, Switzerland)

Physical chemistry chemical physics : PCCP

Scuola Normale Superiore di Pisa Classe di Scienze

Scuola Normale Superiore (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Scuola Normale Superiore di Pisa Classe di Scienze Oct 01 2015

Italy

Associate Professor :: Classe di Scienze

Università degli Studi di Pisa May 01 2006 - Sep 30 2015

Italy

Assistant Professor :: Chemistry and Industrial Chemistry

Education History

Scuola Normale Superiore

Italy

PHD

Università degli Studi di Pisa

Italy

MSC :: Chimica e Chimica Industriale

Publications

Sara Gómez, Santiago Gómez, Natalia Rojas-Valencia, José G Hernández, Karen J Ardila-Fierro, Tatiana Gómez, Carlos Cárdenas, Cacier Hadad, Chiara Cappelli, Albeiro Restrepo
Interactions and reactivity in crystalline intermediates of mechanochemical cyclorhodation reactions. Physical chemistry chemical physics : PCCP 26 (3) (2024)
Sara Gómez, Santiago Gómez, Natalia Rojas-Valencia, José G Hernández, Karen J Ardila-Fierro, Tatiana Gómez, Carlos Cárdenas, Cacier Hadad, Chiara Cappelli, Albeiro Restrepo
Interactions and reactivity in crystalline intermediates of mechanochemical cyclorhodation reactions. Physical chemistry chemical physics : PCCP 26 (3) (2024)
Pablo Grobas Illobre, Piero Lafiosca, Teresa Guidone, Francesco Mazza, Tommaso Giovannini, Chiara Cappelli
Multiscale modeling of surface enhanced fluorescence. Nanoscale advances 6 (13) (2024)
Sara Gómez, Elizabeth Florez, Nancy Acelas, Chiara Cappelli, Cacier Hadad, Albeiro Restrepo
Encapsulation of charged halogens by the 5 12 water cage. Physical chemistry chemical physics : PCCP 26 (21) (2024)
Sara Gómez, Chiara Cappelli
When Tautomers Matter: UV-Vis Absorption Spectra of Hypoxanthine in Aqueous Solution from Fully Atomistic Simulations. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (16) (2024)
Sara Gómez, Chiara Cappelli
The Role of Hydrogen Bonding in the Raman Spectral Signals of Caffeine in Aqueous Solution. Molecules (Basel, Switzerland) 29 (13) (2024)
Sara Gómez, Santiago Gómez, Natalia Rojas-Valencia, José G Hernández, Karen J Ardila-Fierro, Tatiana Gómez, Carlos Cárdenas, Cacier Hadad, Chiara Cappelli, Albeiro Restrepo
Interactions and reactivity in crystalline intermediates of mechanochemical cyclorhodation reactions. Physical chemistry chemical physics : PCCP 26 (3) (2024)
Sara Gómez, Elizabeth Florez, Nancy Acelas, Chiara Cappelli, Cacier Hadad, Albeiro Restrepo
Encapsulation of charged halogens by the 5 12 water cage. Physical chemistry chemical physics : PCCP (2024)
Sara Gómez, Chiara Cappelli
When Tautomers Matter: UV-Vis Absorption Spectra of Hypoxanthine in Aqueous Solution from Fully Atomistic Simulations. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Sara Gómez, Chiara Cappelli
The Role of Hydrogen Bonding in the Raman Spectral Signals of Caffeine in Aqueous Solution. Molecules (Basel, Switzerland) 29 (13) (2024)
Sara Gómez, Matteo Ambrosetti, Tommaso Giovannini, Chiara Cappelli
Close-Up Look at Electronic Spectroscopic Signatures of Common Pharmaceuticals in Solution. The journal of physical chemistry. B 128 (10) (2024)
Sara Gómez, Matteo Ambrosetti, Tommaso Giovannini, Chiara Cappelli
Close-Up Look at Electronic Spectroscopic Signatures of Common Pharmaceuticals in Solution. The journal of physical chemistry. B 128 (10) (2024)
Chiara Sepali, Sara Gómez, Emanuele Grifoni, Tommaso Giovannini, Chiara Cappelli
Computational Spectroscopy of Aqueous Solutions: The Underlying Role of Conformational Sampling. The journal of physical chemistry. B 128 (20) (2024)
Chiara Sepali, Sara Gómez, Emanuele Grifoni, Tommaso Giovannini, Chiara Cappelli
Computational Spectroscopy of Aqueous Solutions: The Underlying Role of Conformational Sampling. The journal of physical chemistry. B (2024)
Pablo Grobas Illobre, Piero Lafiosca, Teresa Guidone, Francesco Mazza, Tommaso Giovannini, Chiara Cappelli
Multiscale modeling of surface enhanced fluorescence. Nanoscale advances 6 (13) (2024)
Sara Gómez, Santiago Gómez, Natalia Rojas-Valencia, José G Hernández, Karen J Ardila-Fierro, Tatiana Gómez, Carlos Cárdenas, Cacier Hadad, Chiara Cappelli, Albeiro Restrepo
Interactions and reactivity in crystalline intermediates of mechanochemical cyclorhodation reactions. Physical chemistry chemical physics : PCCP (2024)
Sara Gómez, Matteo Ambrosetti, Tommaso Giovannini, Chiara Cappelli
Close-Up Look at Electronic Spectroscopic Signatures of Common Pharmaceuticals in Solution. The journal of physical chemistry. B (2024)
Piero Lafiosca, Federico Rossi, Franco Egidi, Tommaso Giovannini, Chiara Cappelli
Multiscale Frozen Density Embedding/Molecular Mechanics Approach for Simulating Magnetic Response Properties of Solvated Systems. Journal of chemical theory and computation 20 (1) (2023)
Natalia Rojas-Valencia, Sara Gómez, Tommaso Giovannini, Chiara Cappelli, Albeiro Restrepo, Francisco Núñez-Zarur
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 127 (10) (2023)
Sara Gómez, Piero Lafiosca, Franco Egidi, Tommaso Giovannini, Chiara Cappelli
UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNA. Journal of chemical information and modeling 63 (4) (2023)
Simone Zanotto, Luca Bonatti, Maria F Pantano, Vaidotas Mišeikis, Speranza Giorgio, Tommaso Giovannini, Camilla Coletti, Chiara Cappelli, Alessandro Tredicucci, Alessandra Toncelli
Strain-Induced Plasmon Confinement in Polycrystalline Graphene. ACS photonics 10 (2) (2023)
Piero Lafiosca, Federico Rossi, Franco Egidi, Tommaso Giovannini, Chiara Cappelli
Multiscale Frozen Density Embedding/Molecular Mechanics Approach for Simulating Magnetic Response Properties of Solvated Systems. Journal of chemical theory and computation (2023)
Simone Zanotto, Luca Bonatti, Maria F Pantano, Vaidotas Mišeikis, Speranza Giorgio, Tommaso Giovannini, Camilla Coletti, Chiara Cappelli, Alessandro Tredicucci, Alessandra Toncelli
Strain-Induced Plasmon Confinement in Polycrystalline Graphene. ACS photonics 10 (2) (2023)
Sara Gómez, Piero Lafiosca, Franco Egidi, Tommaso Giovannini, Chiara Cappelli
UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNA. Journal of chemical information and modeling 63 (4) (2023)
Tommaso Giovannini, Gioia Marrazzini, Marco Scavino, Eirik F Kjønstad, Chiara Cappelli
Integrated Multiscale Multilevel Approach to Open Shell Molecular Systems. Journal of chemical theory and computation 19 (5) (2023)
Tommaso Giovannini, Gioia Marrazzini, Marco Scavino, Eirik F Kjønstad, Chiara Cappelli
Integrated Multiscale Multilevel Approach to Open Shell Molecular Systems. Journal of chemical theory and computation (2023)
Natalia Rojas-Valencia, Sara Gómez, Tommaso Giovannini, Chiara Cappelli, Albeiro Restrepo, Francisco Núñez-Zarur
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 (2023)
Tommaso Giovannini, Gioia Marrazzini, Marco Scavino, Eirik F Kjønstad, Chiara Cappelli
Integrated Multiscale Multilevel Approach to Open Shell Molecular Systems. Journal of chemical theory and computation 19 (5) (2023)
Sara Gómez, Piero Lafiosca, Franco Egidi, Tommaso Giovannini, Chiara Cappelli
UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNA. Journal of chemical information and modeling (2023)
Piero Lafiosca, Federico Rossi, Franco Egidi, Tommaso Giovannini, Chiara Cappelli
Multiscale Frozen Density Embedding/Molecular Mechanics Approach for Simulating Magnetic Response Properties of Solvated Systems. Journal of chemical theory and computation 20 (1) (2023)
Piero Lafiosca, Federico Rossi, Franco Egidi, Tommaso Giovannini, Chiara Cappelli
Multiscale Frozen Density Embedding/Molecular Mechanics Approach for Simulating Magnetic Response Properties of Solvated Systems. Journal of chemical theory and computation 20 (1) (2023)
Tommaso Giovannini, Chiara Cappelli
Continuum vs. atomistic approaches to computational spectroscopy of solvated systems. Chemical communications (Cambridge, England) (2023)
Sara Gómez, Piero Lafiosca, Franco Egidi, Tommaso Giovannini, Chiara Cappelli
UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNA. Journal of chemical information and modeling 63 (4) (2023)
Piero Lafiosca, Tommaso Giovannini, Michele Benzi, Chiara Cappelli
Correction to "Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures". The journal of physical chemistry. C, Nanomaterials and interfaces 127 (12) (2023)
Sveva Sodomaco, Sara Gómez, Tommaso Giovannini, Chiara Cappelli
Computational Insights into the Adsorption of Ligands on Gold Nanosurfaces. The journal of physical chemistry. A (2023)
Tommaso Giovannini, Gioia Marrazzini, Marco Scavino, Eirik F Kjønstad, Chiara Cappelli
Integrated Multiscale Multilevel Approach to Open Shell Molecular Systems. Journal of chemical theory and computation 19 (5) (2023)
Natalia Rojas-Valencia, Sara Gómez, Tommaso Giovannini, Chiara Cappelli, Albeiro Restrepo, Francisco Núñez-Zarur
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 127 (10) (2023)
Piero Lafiosca, Luca Nicoli, Luca Bonatti, Tommaso Giovannini, Stefano Corni, Chiara Cappelli
QM/Classical Modeling of Surface Enhanced Raman Scattering Based on Atomistic Electromagnetic Models. Journal of chemical theory and computation (2023)
Sara Gómez, Piero Lafiosca, Franco Egidi, Tommaso Giovannini, Chiara Cappelli
UV-Resonance Raman Spectra of Systems in Complex Environments: A Multiscale Modeling Applied to Doxorubicin Intercalated into DNA. Journal of chemical information and modeling 63 (4) (2023)
Santiago Gómez, Sara Gómez, Jorge David, Doris Guerra, Chiara Cappelli, Albeiro Restrepo
Dissecting Bonding Interactions in Cysteine Dimers. Molecules (Basel, Switzerland) 27 (24) (2022)
Sara Gómez, Tommaso Giovannini, Chiara Cappelli
Multiple Facets of Modeling Electronic Absorption Spectra of Systems in Solution. ACS physical chemistry Au 3 (1) (2022)
Tommaso Giovannini, Luca Bonatti, Piero Lafiosca, Luca Nicoli, Matteo Castagnola, Pablo Grobas Illobre, Stefano Corni, Chiara Cappelli
Do We Really Need Quantum Mechanics to Describe Plasmonic Properties of Metal Nanostructures? ACS photonics 9 (9) (2022)
Santiago Gómez, Sara Gómez, Jorge David, Doris Guerra, Chiara Cappelli, Albeiro Restrepo
Dissecting Bonding Interactions in Cysteine Dimers. Molecules (Basel, Switzerland) 27 (24) (2022)
Santiago Gómez, Sara Gómez, Jorge David, Doris Guerra, Chiara Cappelli, Albeiro Restrepo
Dissecting Bonding Interactions in Cysteine Dimers. Molecules (Basel, Switzerland) 27 (24) (2022)
Sara Gómez, Natalia Rojas-Valencia, Tommaso Giovannini, Albeiro Restrepo, Chiara Cappelli
Ring Vibrations to Sense Anionic Ibuprofen in Aqueous Solution as Revealed by Resonance Raman. Molecules (Basel, Switzerland) 27 (2) (2022)
Luca Bonatti, Luca Nicoli, Tommaso Giovannini, Chiara Cappelli
In silico design of graphene plasmonic hot-spots. Nanoscale advances 4 (10) (2022)
Sara Gómez, Tommaso Giovannini, Chiara Cappelli
Multiple Facets of Modeling Electronic Absorption Spectra of Systems in Solution. ACS physical chemistry Au 3 (1) (2022)
Alejandro Arias, Sara Gómez, Natalia Rojas-Valencia, Francisco Núñez-Zarur, Chiara Cappelli, Juliana A Murillo-López, Albeiro Restrepo
Formation and evolution of C-C, C-O, C[double bond, length as m-dash]O and C-N bonds in chemical reactions of prebiotic interest. RSC advances 12 (44) (2022)
Santiago Gómez, Sara Gómez, Jorge David, Doris Guerra, Chiara Cappelli, Albeiro Restrepo
Dissecting Bonding Interactions in Cysteine Dimers. Molecules (Basel, Switzerland) 27 (24) (2022)
Santiago Gómez, Sara Gómez, Jorge David, Doris Guerra, Chiara Cappelli, Albeiro Restrepo
Dissecting Bonding Interactions in Cysteine Dimers. Molecules (Basel, Switzerland) 27 (24) (2022)
Luca Nicoli, Tommaso Giovannini, Chiara Cappelli
Assessing the quality of QM/MM approaches to describe vacuo-to-water solvatochromic shifts. The Journal of chemical physics 157 (21) (2022)
Piero Lafiosca, Sara Gómez, Tommaso Giovannini, Chiara Cappelli
Absorption Properties of Large Complex Molecular Systems: The DFTB/Fluctuating Charge Approach. Journal of chemical theory and computation 18 (3) (2022)
Sara Gómez, Cettina Bottari, Franco Egidi, Tommaso Giovannini, Barbara Rossi, Chiara Cappelli
Amide Spectral Fingerprints are Hydrogen Bonding-Mediated. The journal of physical chemistry letters 13 (26) (2022)
Sara Gómez, Natalia Rojas-Valencia, Santiago A Gómez, Chiara Cappelli, Gabriel Merino, Albeiro Restrepo
A molecular twist on hydrophobicity. Chemical science 12 (26) (2021)
Marco Paolino, Tommaso Giovannini, Madushanka Manathunga, Loredana Latterini, Giulia Zampini, Robin Pierron, Jérémie Léonard, Stefania Fusi, Gianluca Giorgi, Germano Giuliani, Andrea Cappelli, Chiara Cappelli, Massimo Olivucci
On the Transition from a Biomimetic Molecular Switch to a Rotary Molecular Motor. The journal of physical chemistry letters 12 (16) (2021)
Piero Lafiosca, Tommaso Giovannini, Michele Benzi, Chiara Cappelli
Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures. The journal of physical chemistry. C, Nanomaterials and interfaces 125 (43) (2021)
Matteo Ambrosetti, Sulejman Skoko, Tommaso Giovannini, Chiara Cappelli
Quantum Mechanics/Fluctuating Charge Protocol to Compute Solvatochromic Shifts. Journal of chemical theory and computation 17 (11) (2021)
Natalia Rojas-Valencia, Sara Gómez, Francisco Núñez-Zarur, Chiara Cappelli, Cacier Hadad, Albeiro Restrepo
Thermodynamics and Intermolecular Interactions during the Insertion of Anionic Naproxen into Model Cell Membranes. The journal of physical chemistry. B 125 (36) (2021)
Gioia Marrazzini, Tommaso Giovannini, Marco Scavino, Franco Egidi, Chiara Cappelli, Eirik F Kjønstad
Multilevel Density Functional Theory. Journal of chemical theory and computation 17 (2) (2021)
Tommaso Giovannini, Franco Egidi, Chiara Cappelli
Molecular spectroscopy of aqueous solutions: a theoretical perspective. Chemical Society reviews (2020)
Sulejman Skoko, Matteo Ambrosetti, Tommaso Giovannini, Chiara Cappelli
Simulating Absorption Spectra of Flavonoids in Aqueous Solution: A Polarizable QM/MM Study. Molecules (Basel, Switzerland) 25 (24) (2020)
Gioia Marrazzini, Tommaso Giovannini, Franco Egidi, Chiara Cappelli
Calculation of Linear and Non-linear Electric Response Properties of Systems in Aqueous Solution: A Polarizable Quantum/Classical Approach with Quantum Repulsion Effects. Journal of chemical theory and computation 16 (11) (2020)
Tommaso Giovannini, Luca Bonatti, Marco Polini, Chiara Cappelli
Graphene Plasmonics: Fully Atomistic Approach for Realistic Structures. The journal of physical chemistry letters 11 (18) (2020)
Natalia Rojas-Valencia, Sara Gómez, Sebastian Montillo, Marcela Manrique-Moreno, Chiara Cappelli, Cacier Hadad, Albeiro Restrepo
Evolution of Bonding during the Insertion of Anionic Ibuprofen into Model Cell Membranes. The journal of physical chemistry. B 124 (1) (2019)
Tommaso Giovannini, Piero Lafiosca, Balasubramanian Chandramouli, Vincenzo Barone, Chiara Cappelli
Effective yet reliable computation of hyperfine coupling constants in solution by a QM/MM approach: Interplay between electrostatics and non-electrostatic effects. The Journal of chemical physics 150 (12) (2019)
Tommaso Giovannini, Laura Grazioli, Matteo Ambrosetti, Chiara Cappelli
Calculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles. Journal of chemical theory and computation 15 (10) (2019)
Tommaso Giovannini, Matteo Ambrosetti, Chiara Cappelli
Quantum Confinement Effects on Solvatochromic Shifts of Molecular Solutes. The journal of physical chemistry letters 10 (19) (2019)
Roberto Di Remigio, Tommaso Giovannini, Matteo Ambrosetti, Chiara Cappelli, Luca Frediani
Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions. Journal of chemical theory and computation 15 (7) (2019)
Tommaso Giovannini, Alessandra Puglisi, Matteo Ambrosetti, Chiara Cappelli
Polarizable QM/MM Approach with Fluctuating Charges and Fluctuating Dipoles: The QM/FQFμ Model. Journal of chemical theory and computation 15 (4) (2019)
Tommaso Giovannini, Marta Rosa, Stefano Corni, Chiara Cappelli
A classical picture of subnanometer junctions: an atomistic Drude approach to nanoplasmonics. Nanoscale 11 (13) (2019)
Tommaso Giovannini, Rosario Roberto Riso, Matteo Ambrosetti, Alessandra Puglisi, Chiara Cappelli
Electronic transitions for a fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles: Linear and corrected linear response regimes. The Journal of chemical physics 151 (17) (2019)
Tommaso Giovannini, Gianluca Del Frate, Piero Lafiosca, Chiara Cappelli
Effective computational route towards vibrational optical activity spectra of chiral molecules in aqueous solution. Physical chemistry chemical physics : PCCP 20 (14) (2018)
Antonella Battisti, Matteo Ambrosetti, Giacomo Ruggeri, Chiara Cappelli, Andrea Pucci
A 4,4'-bis(2-benzoxazolyl)stilbene luminescent probe: assessment of aggregate formation through photophysics experiments and quantum-chemical calculations. Physical chemistry chemical physics : PCCP 20 (41) (2018)
Tommaso Giovannini, Marta Olszówka, Franco Egidi, James R Cheeseman, Giovanni Scalmani, Chiara Cappelli
Polarizable Embedding Approach for the Analytical Calculation of Raman and Raman Optical Activity Spectra of Solvated Systems. Journal of chemical theory and computation 13 (9) (2017)
Tommaso Giovannini, Piero Lafiosca, Chiara Cappelli
A General Route to Include Pauli Repulsion and Quantum Dispersion Effects in QM/MM Approaches. Journal of chemical theory and computation 13 (10) (2017)

Chiara Cappelli.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Chiara Cappelli