Sfoglia per Autore
NACYLUREA COMPOUNDS FOR PREPARING POLYURETHANES
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
Modification and photostabilization of low density polyethylene film by photodecomposition of various diazo-compounds and methyl azidocarboxylate
2007 J., Mosnacek; M., Bertoldo; C., Kosa; Cappelli, Chiara; G., Ruggeri; I., Lukac; F., Ciardelli
Properties and Spectroscopies
2007 Sadlej, Joanna; PECUL-KUDELSKA, Magdalena; Barone, Vincenzo; Cimino, Paola; Pavone, Michele; Cappelli, Chiara; Stephens, Philip J.; Devlin, Frank J.; Ruud, Kenneth; Hug, Werner; Cammi, Roberto; Mennucci, Benedetta; Rizzo, Antonio; Ferrarini, Alberta; Ågren, Hans; Mikkelsen, Kurt V.; Corni, Stefano; Frediani, Luca
A quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase
2007 Mennucci, B; Cappelli, Chiara; Cammi, R; Tomasi, J.
Modulation of the Optical Response of Polyethylene Films Containing Luminescent Perylene Chromophores
2008 F., Donati; A., Pucci; Cappelli, Chiara; Mennucci, B; G., Ruggeri
Density-functional study of electric and magnetic properties of hexafluorobenzene in the vapor phase (vol 122, artn no 234314, 2005)
2008 Rizzo, Antonio; Cappelli, Chiara; Jansik, Branislav; Jonsson, Dan; Salek, Pawel; Coriani, Sonia; Agren, Hans; Wilson, David J. D.; Helgaker, Trygve; Junquera-Hernandez, Jose Miguel; Sanchez de Meras, Alfredo M. J.; Sanchez-Marin, Jose
How the environment controls absorption and fluorescence spectra of PRODAN: a quantum-mechanical study in homogeneous and heterogeneous media
2008 B., Mennucci; M., Caricato; F., Ingrosso; Cappelli, Chiara; R., Cammi; J., Tomasi; G, Scalmani; M. J., Frisch
An ab-initio study of the magneto-optical rotation of diastereoisomers
2008 Kula, M; Cappelli, Chiara; Coriani, S; Rizzo, A.
Modelling the Solvation of Peptides. The case of (s)-N-Acetylproline Amide in Liquid Water
2008 Cappelli, Chiara; Mennucci, B.
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
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.
A computational study of some electric and magnetic properties of gaseous BF3 and BCl3 (vol 123, artn no 114307, 2005)
2008 Rizzo, A; Cappelli, C; Jansik, B; Jonsson, D; Salek, P; Coriani, S; Agren, H; Wilson, Djd; Helgaker, T; JUNQUERA-HERNANDEZ, Jm; DE MERAS, Amjs; SANCHEZ-MARIN, J
Structures and Properties of Electronically Excited Chromophores in Solution from the Polarizable Continuum Model Coupled to the Time-Dependent Density Functional Theory
2009 Mennucci, B; Cappelli, Chiara; Guido, CIRO ACHILLE; R., Cammi; J., Tomasi
Two-dimensional infrared spectroscopy of Glycine-L-Alanine-Methylamide
2009 Candelaresi, M.; Foggi, P.; Lima, M.; Palmer, D. J.; Mennucci, B.; Cappelli, Chiara; Monti, S.
Properties of Excited States of Molecules in Solution Described with Continuum Solvation Models
2009 Cammi, R; Cappelli, Chiara; Mennucci, B.; Tomasi, J.
Toward a Quantum-Mechanical Description of 2D-IR Spectra of Solvated Systems: The Vibrational Mode Coupling within A Polarizable Continuum Model
2010 A., Biancardi; Cappelli, Chiara; Mennucci, B; R., Cammi
From Molecular Electrostatic Potentials to Solvation Models and Ending with Biomolecular Photophysical Processes
2010 J., Tomasi; Cappelli, Chiara; B., Mennucci; R., Cammi
On the Calculation of Vibrational Frequencies for Molecules in Solution Beyond the Harmonic Approximation
2010 Cappelli, Chiara; S., Monti; G., Scalmani; Barone, Vincenzo
ORG/CTC-KN-01 Bridging the Gap between Theory and Experiment: Modeling Chiroptical Properties and Spectroscopies
2011 Egidi, Franco; Bloino, J; Cappelli, Chiara
Modeling Solvent Effects on Chiroptical Properties
2011 Mennucci, B; Cappelli, Chiara; Cammi, R; Tomasi, J.
David Bishop approach to vibrational dynamic contributions to molecular properties. Application to Jones and Magnetoelectric birefringences in diatomic molecules
2011 A., Rizzo; Cappelli, Chiara
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