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Cappelli, Chiara
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ResearcherID: E-7737-2010
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URL: http://www.researcherid.com/rid/E-7737-2010
Subject: Chemistry
ORCID: http://orcid.org/0000-0002-4872-4505
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My URLs: http://embedlab.sns.it
 
 

This list contains papers that I have authored.

publication(s)  
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1.  Title: Molecular properties in solution described with a continuum solvation model
 Author(s): TOMASI, J; CAMMI, R; MENNUCCI, B; et al.
 Source: Physical Chemistry Chemical Physics Volume: 4 Issue: 23 Pages: 5697-5712 Published: 2002
 Times Cited: 201
 DOI: 10.1039/b207281p
added
05-Aug-10
2.  Title: Structures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory
 Author(s): MENNUCCI, B; CAPPELLI, C; GUIDO, CA; et al.
 Source: Journal of Physical Chemistry a Volume: 113 Issue: 13 Pages: 3009-3020 Published: 2009
 Times Cited: 106
 DOI: 10.1021/jp8094853
added
05-Aug-10
3.  Title: Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments
 Author(s): Barone, Vincenzo; Baiardi, Alberto; Biczysko, Malgorzata; et al.
 Source: Physical Chemistry Chemical Physics Volume: 14 Issue: 36 Pages: 12404-12422 Published: 2012
 Times Cited: 78
 DOI: 10.1039/c2cp41006k
added
08-Oct-12
4.  Title: Density-functional-theory study of the electric-field-induced second harmonic generation (EFISHG) of push-pull phenylpolyenes in solution
 Author(s): FERRIGHI, L; FREDIANI, L; CAPPELLI, C; et al.
 Source: Chemical Physics Letters Volume: 425 Issue: 4-6 Pages: 267-272 Published: JUL 10 2006
 Times Cited: 72
 DOI: 10.1016/j.cplett.2006.04.112
added
05-Aug-10
5.  Title: Vibrational circular dichroism within the polarizable continuum model: A theoretical evidence of conformation effects and hydrogen bonding for (S)-(-)-3-butyn-2-ol in CCl4 solution
 Author(s): CAPPELLI, C; CORNI, S; MENNUCCI, B; et al.
 Source: Journal of Physical Chemistry a Volume: 106 Issue: 51 Pages: 12331-12339 Published: DEC 26 2002
 Times Cited: 65
 DOI: 10.1021/jp021273e
added
05-Aug-10
6.  Title: On the calculation of infrared intensities in solution within the polarizable continuum model
 Author(s): CAMMI, R; CAPPELLI, C; CORNI, S; et al.
 Source: Journal of Physical Chemistry a Volume: 104 Issue: 44 Pages: 9874-9879 Published: NOV 9 2000
 Times Cited: 59
 DOI: 10.1021/p001749z
added
05-Aug-10
7.  Title: Modulation of the optical response of polyethylene films containing luminescent perylene chromophores
 Author(s): DONATI, F; PUCCI, A; CAPPELLI, C; et al.
 Source: Journal of Physical Chemistry B Volume: 112 Issue: 12 Pages: 3668-3679 Published: 2008
 Times Cited: 58
 DOI: 10.1021/jp711193u
added
05-Aug-10
8.  Title: Modeling Solvent Effects on Chiroptical Properties
 Author(s): Mennucci, Benedetta; Cappelli, Chiara; Cammi, Roberto; et al.
 Source: Chirality Volume: 23 Issue: 9 Pages: 717-729 Published: OCT 2011
 Times Cited: 55
 DOI: 10.1002/chir.20984
added
13-Feb-12
9.  Title: Nonequilibrium formulation of infrared frequencies and intensities in solution: Analytical evaluation within the polarizable continuum model
 Author(s): CAPPELLI, C; CORNI, S; CAMMI, R; et al.
 Source: Journal of Chemical Physics Volume: 113 Issue: 24 Pages: 11270-11279 Published: DEC 22 2000
 Times Cited: 54
 DOI: 10.1063/1.1328070
added
05-Aug-10
10.  Title: Linear Response Theory and Electronic Transition Energies for a Fully Polarizable QM/Classical Hamiltonian
 Author(s): Lipparini, Filippo; Cappelli, Chiara; Barone, Vincenzo
 Source: Journal of Chemical Theory and Computation Volume: 8 Issue: 11 Pages: 4153-4165 Published: NOV 2012
 Times Cited: 50
 DOI: 10.1021/ct3005062
added
21-Dec-12
publication(s)  
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