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C

Chiara Cappelli

scuola normale superiore

45H指数
220论文数
5.9K被引数
收录论文 82
发表时间
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DMRG/FQ: A Polarizable Embedding Approach Combining Density Matrix Renormalization Group and Fluctuating ChargesDMRG/FQ：一种结合密度矩阵重整化群和波动电荷的极化嵌入方法
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-10
err0
errOAAI
errMatteo Rinaldi; Chiara Sepali; Alicia M. Kirk; Claudio Amovilli; Chiara Cappelli
err分享
err收藏
Analytical Nuclear Gradients for the Multiconfigurational Self-Consistent Field Method Coupled with the Polarizable Fluctuating Charges Model
errJournal of Chemical Theory and Computation
IF5.5
err2026-01-27
err0
errOAAI
errFrancesco Mazza; Marco Trinari; Chiara Sepali; Chiara Cappelli
err分享
err收藏
Atomistic QM/Classical Modeling of Surface-Enhanced Infrared Absorption
errThe Journal of Physical Chemistry C
IF3.2
err2026-01-22
err0
errOAAI
errSveva Sodomaco; Piero Lafiosca; Tommaso Giovannini; Chiara Cappelli
err分享
err收藏
GW Approximation Coupled with Classical Fluctuating Charges and Dipoles
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-12-01
err0
PREAI
errNottoli, Giovanni; Lafiosca, Piero; Quintela Rodriguez, Frank Ernesto; Egidi, Franco; Forster, Arno; Cappelli, Chiara
err分享
err收藏
Fully Atomistic Modeling in Computational Spectroscopy: Tryptophan in Aqueous Solution as a Test Case计算光谱学中的全原子建模：以水溶液中的色氨酸作为测试案例
errThe Journal of Physical Chemistry A
IF2.8
err2025-10-30
err0
errOAAI
errMarco Trinari; Chiara Sepali; Tommaso Giovannini; Chiara Cappelli
err分享
err收藏
Vibrational Spectroscopy of Triple 13C18O15N Isotope-Edited N-Methylacetamide: Interplay between Experiment and Theory (IR; Raman; UVRR)三重13C18O15N同位素编辑的N-甲基乙酰胺的振动光谱：实验与理论的相互作用 (IR； Raman； UVRR)
errThe Journal of Physical Chemistry A
IF2.8
err2025-10-13
err0
PREAI
errLuca Supovec; Sara Gómez; Tommaso Giovannini; Chiara Cappelli; Sebastian Schlücker
err分享
err收藏
Exploring Membrane Cholesterol Binding to the CB1 Receptor: A Computational Perspective探索膜胆固醇与CB1受体的结合：计算研究视角
errJOURNAL OF PHYSICAL CHEMISTRY B
IF2.9
err2025-04-23
err0
PREAI
errVanegas, Manuela J.; Gomez, Sara; Cappelli, Chiara; Miscione, Gian Pietro
err分享
err收藏
Mixed atomistic-implicit quantum/classical approach to molecular nanoplasmonics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-01-22
err0
errOAAI
errIllobre, Pablo Grobas; Lafiosca, Piero; Bonatti, Luca; Giovannini, Tommaso; Cappelli, Chiara
err分享
err收藏
Modeling infrared and vibrational circular dichroism spectra of complex systems: the DFTB/fluctuating charges route模拟复杂系统的红外和振动圆二色性光谱：DFTB/波动电荷方法
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2025-01-01
err0
PREAI
errLafiosca, Piero; Gomez, Sara; Melega, Luca; Giovannini, Tommaso; Cappelli, Chiara
err分享
err收藏
Fully Polarizable Multiconfigurational Self-Consistent Field/Fluctuating Charges Approach
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-11-12
err2
PREAI
errSepali, Chiara; Goletto, Linda; Lafiosca, Piero; Rinaldi, Matteo; Giovannini, Tommaso; Cappelli, Chiara
err分享
err收藏
Atomistic Multiscale Modeling of Colloidal Plasmonic Nanoparticles
errACS PHYSICAL CHEMISTRY AU
IF4.3
err2024-10-17
err1
errOAAI
errNicoli, Luca; Sodomaco, Sveva; Lafiosca, Piero; Giovannini, Tommaso; Cappelli, Chiara
err分享
err收藏
Real-Time Formulation of Atomistic Electromagnetic Models for Plasmonics
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-10-04
err1
PREAI
errLafiosca, Piero; Nicoli, Luca; Pipolo, Silvio; Corni, Stefano; Giovannini, Tommaso; Cappelli, Chiara
err分享
err收藏
The Role of Hydrogen Bonding in the Raman Spectral Signals of Caffeine in Aqueous Solution
errMOLECULES
IF4.6
err2024-06-26
err3
errOAAI
errGomez, Sara; Cappelli, Chiara
err分享
err收藏
Deciphering the structure of deep eutectic solvents: A computational study from the solute's viewpoint
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2024-04-01
err3
errOAAI
errSepali, Chiara; Skoko, Sulejman; Guglielmero, Luca; Giovannini, Tommaso; Mezzetta, Andrea; D'Andrea, Felicia; Pomelli, Christian Silvio; Guazzelli, Lorenzo; Cappelli, Chiara
err分享
err收藏
Effective fully polarizable QM/MM approaches to compute Raman and Raman Optical Activity spectra in aqueous solution
errSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
IF4.6
err2024-01-01
err3
errOAAI
errSepali, Chiara; Lafiosca, Piero; Gomez, Sara; Giovannini, Tommaso; Cappelli, Chiara
err分享
err收藏
Multiscale Frozen Density Embedding/Molecular Mechanics Approach for Simulating Magnetic Response Properties of Solvated Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-12-18
err4
errOAAI
errLafiosca, Piero; Rossi, Federico; Egidi, Franco; Giovannini, Tommaso; Cappelli, Chiara
err分享
err收藏
Towards a cost-effective modeling of fluorescence in the condensed phase
errDYES AND PIGMENTS
IF4.2
err2023-07-01
err3
PREAI
errSkoko, Sulejman; Micheletti, Cosimo; Grifoni, Emanuele; Egidi, Franco; Giovannini, Tommaso; Pucci, Andrea; Cappelli, Chiara
err分享
err收藏
QM/Classical Modeling of Surface Enhanced Raman Scattering Based on Atomistic Electromagnetic Models
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-06-06
err10
errOAAI
errLafiosca, Piero; Nicoli, Luca; Bonatti, Luca; Giovannini, Tommaso; Corni, Stefano; Cappelli, Chiara
err分享
err收藏
Going Beyond the Limits of Classical Atomistic Modeling of Plasmonic Nanostructures (vol 125, pg 23848, 2021)
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-03-21
err0
errOAAI
errLafiosca, Piero; Giovannini, Tommaso; Benzi, Michele; Cappelli, Chiara
err分享
err收藏
Integrated Multiscale Multilevel Approach to Open Shell Molecular Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-02-13
err6
errOAAI
errGiovannini, Tommaso; Marrazzini, Gioia; Scavino, Marco; Koch, Henrik; Cappelli, Chiara
err分享
err收藏

研究方向

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