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Dichroic Properties of Bis-benzoxazolyl-stilbene and Bis-benzoxazolyl-thiophene Dispersed into Oriented Polyethylene Films: a Combined Experimental and Density Functional Theory Approach 1-gen-2006 Pucci, Andrea; Cappelli, Chiara; S., Bronco; Ruggeri, Giacomo
Towards the Design of Highly Selective Recognition Sites into Molecular Imprinting Polymers: a Computational Approach 1-gen-2006 S., Monti; Cappelli, Chiara; S., Bronco; P., Giusti; G., Ciardelli
Characterization of Supramolecular Polyphenol-Chromium(III) Clusters by Molecular Dynamics Simulations 1-gen-2006 S., Bronco; Cappelli, Chiara; S., Monti
A quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase 1-gen-2007 Mennucci, Benedetta; Cappelli, Chiara; Cammi, R; Tomasi, Iacopo
NACYLUREA COMPOUNDS FOR PREPARING POLYURETHANES 1-gen-2007 ANDREOTTI LEONARDO, It; STERNER MARION, It; Trani, Giorgio; It, ; SCHIAVON GIOVANNI, It; ZAGGIA CARLO, Alberto; Razeti, Marco; Bertoldo, Monica; Bronco, Simona; Cappelli, Chiara; Liuzzo, Vincenzo
Continuum solvation approaches to vibrational properties 1-gen-2007 Cappelli, Chiara
Conferring Dichroic Properties and Optical Responsiveness to Polyolefins through Organic Chromophores and Metal Nanoparticles 1-gen-2007 Pucci, Andrea; Ruggeri, Giacomo; S., Bronco; M., Bertoldo; Cappelli, Chiara; Ciardelli, Francesco
Modification and photostabilization of low density polyethylene film by photodecomposition of various diazo-compounds and methyl azidocarboxylate 1-gen-2007 J., Mosnacek; M., Bertoldo; C., Kosa; Cappelli, Chiara; Ruggeri, Giacomo; I., Lukac; Ciardelli, Francesco
An ab-initio study of the magneto-optical rotation of diastereoisomers 1-gen-2008 Kula, M; Cappelli, Chiara; Coriani, S; Rizzo, A.
How the environment controls absorption and fluorescence spectra of PRODAN: a quantum-mechanical study in homogeneous and heterogeneous media 1-gen-2008 Mennucci, Benedetta; M., Caricato; F., Ingrosso; Cappelli, Chiara; R., Cammi; Tomasi, Iacopo; G, Scalmani; M. J., Frisch
Modulation of the Optical Response of Polyethylene Films Containing Luminescent Perylene Chromophores 1-gen-2008 F., Donati; Pucci, Andrea; Cappelli, Chiara; Mennucci, Benedetta; Ruggeri, Giacomo
Erratum: “Density-functional and electron correlated study of five linear birefringences—Kerr, Cotton–Mouton, Buckingham, Jones and magnetoelectric—in gaseous benzene” J. Chem. Phys. 121, 8814 2004; “Density-functional study of electric and magnetic properties of hexafluorobenzene in the vapor phase” J. Chem. Phys. 122, 234314 2005; and “A computational study of some electric and magnetic properties of gaseous BF3 and BCl3” J. Chem. Phys. 123, 114307 2005 1-gen-2008 Rizzo, A; Cappelli, Chiara; Jansík, B; Jonsson, D; Salek, P; Coriani, S; Ågren, A; WILSON D. J., D; Helgaker, T; JUNQUERA HERNÁNDEZ J., M; SÁNCHEZ DE MERÁS A. M., J; SÁNCHEZ MARÍN, J.
Modelling the Solvation of Peptides. The case of (s)-N-Acetylproline Amide in Liquid Water 1-gen-2008 Cappelli, Chiara; Mennucci, Benedetta
Structures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory 1-gen-2009 Mennucci, Benedetta; Cappelli, Chiara; Guido, Ciro Achille; R., Cammi; J., Tomasi
Properties of excited states of molecules in solution described with continuum solvation models 1-gen-2009 R., Cammi; Cappelli, Chiara; Mennucci, Benedetta; Tomasi, Iacopo
Properties of Excited States of Molecules in Solution Described with Continuum Solvation Models 1-gen-2009 Cammi, R; Cappelli, Chiara; Mennucci, Benedetta; Tomasi, J.
Structures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory. 1-gen-2009 Mennucci, Benedetta; Cappelli, Chiara; C. A., Guido; R., Cammi; J., Tomasi
Toward a Quantum-Mechanical Description of 2D-IR Spectra of Solvated Systems: The Vibrational Mode Coupling within A Polarizable Continuum Model 1-gen-2010 A., Biancardi; Cappelli, Chiara; Mennucci, Benedetta; R., Cammi
Cavity field effects within a polarizable continuum model of solvation: application to the calculation of electronic circular dichroism spectra of R-(+)-3-Methylcyclopentanone 1-gen-2010 S., Pipolo; R., Cammi; A., Rizzo; Cappelli, Chiara; Mennucci, Benedetta; Tomasi, Iacopo
Two-dimensional infrared spectroscopy of Glycine-Alanine-Methylamide 1-gen-2010 M., Candelaresi; P., Foggi; M., Lima; D. J., Palmer; Mennucci, Benedetta; Cappelli, Chiara; S., Monti
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