| Continuum solvation models in chemical physics: from theory to applications B Mennucci, R Cammi John Wiley & Sons, 2008 | 431 | 2008 |
| Molecular properties in solution described with a continuum solvation model J Tomasi, R Cammi, B Mennucci, C Cappelli, S Corni Physical Chemistry Chemical Physics 4 (23), 5697-5712, 2002 | 353 | 2002 |
| Structures and properties of electronically excited chromophores in solution from the polarizable continuum model coupled to the time-dependent density functional theory B Mennucci, C Cappelli, CA Guido, R Cammi, J Tomasi The Journal of Physical Chemistry A 113 (13), 3009-3020, 2009 | 216 | 2009 |
| Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments V Barone, A Baiardi, M Biczysko, J Bloino, C Cappelli, F Lipparini Physical Chemistry Chemical Physics 14 (36), 12404-12422, 2012 | 167 | 2012 |
| Modulation of the optical response of polyethylene films containing luminescent perylene chromophores F Donati, A Pucci, C Cappelli, B Mennucci, G Ruggeri The Journal of Physical Chemistry B 112 (12), 3668-3679, 2008 | 143 | 2008 |
| Linear response theory and electronic transition energies for a fully polarizable QM/classical hamiltonian F Lipparini, C Cappelli, V Barone Journal of chemical theory and computation 8 (11), 4153-4165, 2012 | 142 | 2012 |
| Modeling solvent effects on chiroptical properties B Mennucci, C Cappelli, R Cammi, J Tomasi Chirality 23 (9), 717-729, 2011 | 124 | 2011 |
| Density-functional-theory study of the electric-field-induced second harmonic generation (EFISHG) of push–pull phenylpolyenes in solution L Ferrighi, L Frediani, C Cappelli, P Sałek, H Ågren, T Helgaker, K Ruud Chemical physics letters 425 (4-6), 267-272, 2006 | 111 | 2006 |
| The optical rotation of methyloxirane in aqueous solution: a never ending story? F Lipparini, F Egidi, C Cappelli, V Barone Journal of Chemical Theory and Computation 9 (4), 1880-1884, 2013 | 98 | 2013 |
| Integrated QM/polarizable MM/continuum approaches to model chiroptical properties of strongly interacting solute–solvent systems C Cappelli International Journal of Quantum Chemistry 116 (21), 1532-1542, 2016 | 97 | 2016 |
| Effective time-independent calculations of vibrational resonance Raman spectra of isolated and solvated molecules including Duschinsky and Herzberg–Teller effects F Santoro, C Cappelli, V Barone Journal of chemical theory and computation 7 (6), 1824-1839, 2011 | 97 | 2011 |
| Vibrational Circular Dichroism within the Polarizable Continuum Model: A Theoretical Evidence of Conformation Effects and Hydrogen Bonding for (S)-(−)-3-Butyn-2-ol in … C Cappelli, S Corni, B Mennucci, R Cammi, J Tomasi The Journal of Physical Chemistry A 106 (51), 12331-12339, 2002 | 97 | 2002 |
| Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds I Carnimeo, C Puzzarini, N Tasinato, P Stoppa, AP Charmet, M Biczysko, ... The Journal of chemical physics 139 (7), 2013 | 91 | 2013 |
| On the calculation of infrared intensities in solution within the polarizable continuum model R Cammi, C Cappelli, S Corni, J Tomasi The Journal of Physical Chemistry A 104 (44), 9874-9879, 2000 | 91 | 2000 |
| Analytical first and second derivatives for a fully polarizable QM/classical hamiltonian F Lipparini, C Cappelli, G Scalmani, N De Mitri, V Barone Journal of Chemical Theory and Computation 8 (11), 4270-4278, 2012 | 87 | 2012 |
| 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 … F Egidi, J Bloino, C Cappelli, V Barone Journal of chemical theory and computation 10 (1), 346-363, 2014 | 84 | 2014 |
| Molecular spectroscopy of aqueous solutions: a theoretical perspective T Giovannini, F Egidi, C Cappelli Chemical Society Reviews 49 (16), 5664-5677, 2020 | 80 | 2020 |
| How the environment controls absorption and fluorescence spectra of PRODAN: A quantum-mechanical study in homogeneous and heterogeneous media B Mennucci, M Caricato, F Ingrosso, C Cappelli, R Cammi, J Tomasi, ... The Journal of Physical Chemistry B 112 (2), 414-423, 2008 | 79 | 2008 |
| Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: pyrimidine as a test case M Biczysko, J Bloino, G Brancato, I Cacelli, C Cappelli, A Ferretti, A Lami, ... Theoretical Chemistry Accounts 131, 1-19, 2012 | 78 | 2012 |
| Polarizable QM/MM approach with fluctuating charges and fluctuating dipoles: the QM/FQFμ model T Giovannini, A Puglisi, M Ambrosetti, C Cappelli Journal of chemical theory and computation 15 (4), 2233-2245, 2019 | 75 | 2019 |