| 1 |
Evolution of Bonding during the Insertion of Anionic Ibuprofen into Model Cell Membranes
Rojas-Valencia N, Gomez S, Montillo S, Manrique-Moreno M, Cappelli C, Hadad C, Restrepo A
Journal of Physical Chemistry B, 124(1), 79, 2020 |
| 2 |
The Electronic Circular Dichroism of Nicotine in Aqueous Solution: A Test Case for Continuum and Mixed Explicit-Continuum Solvation Approaches
Egidi F, Russo R, Carnimeo I, D'Urso A, Mancini G, Cappelli C
Journal of Physical Chemistry A, 119(21), 5396, 2015 |
| 3 |
Combination of Transient 2D-IR Experiments and Ab Initio Computations Sheds Light on the Formation of the Charge-Transfer State in Photoexcited Carbonyl Carotenoids
Di Donato M, Centellas MS, Lapini A, Lima M, Avila F, Santoro F, Cappelli C, Righini R
Journal of Physical Chemistry B, 118(32), 9613, 2014 |
| 4 |
Conformational Analysis of Gly Ala NHMe in D20 and DMSO Solutions: A Two-Dimensional Infrared Spectroscopy Study
Candelaresi M, Ragnoni E, Cappelli C, Corozzi A, Lima M, Monti S, Mennucci B, Nuti F, Papini AM, Foggi P
Journal of Physical Chemistry B, 117(46), 14226, 2013 |
| 5 |
Toward a Quantum-Mechanical Description of 2D-IR Spectra of Solvated Systems: The Vibrational Mode Coupling within A Polarizable Continuum Model
Biancardi A, Cappelli C, Mennucci B, Cammi R
Journal of Physical Chemistry B, 114(14), 4924, 2010 |
| 6 |
Structures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory
Mennucci B, Cappelli C, Guido CA, Camlmi R, Tomasi J
Journal of Physical Chemistry A, 113(13), 3009, 2009 |
| 7 |
How the environment controls absorption and fluorescence spectra of PRODAN: A quantum-mechanical study in homogeneous and heterogeneous media
Mennucci B, Caricato M, Ingrosso F, Cappelli C, Cammi R, Tomasi J, Scalmani G, Frisch MJ
Journal of Physical Chemistry B, 112(2), 414, 2008 |
| 8 |
Modeling the solvation of peptides. The case of (s)-N-acetylproline amide in liquid water
Cappelli C, Mennucci B
Journal of Physical Chemistry B, 112(11), 3441, 2008 |
| 9 |
Modulation of the optical response of polyethylene films containing luminescent perylene chromophores
Donati F, Pucci A, Cappelli C, Mennucci B, Ruggeri G
Journal of Physical Chemistry B, 112(12), 3668, 2008 |
| 10 |
Density-functional-theory study of the electric-field-induced second harmonic generation (EFISHG) of push-pull phenylpolyenes in solution
Ferrighi L, Frediani L, Cappelli C, Salek P, Agren H, Helgaker T, Ruud K
Chemical Physics Letters, 425(4-6), 267, 2006 |
