Sfoglia per Autore
The molecular electric quadrupole moment and electric-field-gradient induced birefringence (Buckingham effect) of Cl2
2004 Cappelli, Chiara; U., Ekstrom; A., Rizzo; S., Coriani
Understanding the Accelerating Effect of - Caprolactam on the Formation of Urethane Linkages
2004 M., Bertoldo; Cappelli, Chiara; S., Catanorchi; V., Liuzzo; S., Bronco
A quantum mechanical Polarizable Continuum Model approach to the Kerr effect of pure liquids
2005 Cappelli, Chiara; B., Mennucci; R., Cammi; A., Rizzo
Towards the Supramolecular Structure of Collagen: a Molecular Dynamics Approach
2005 S., Monti; S., Bronco; Cappelli, Chiara
A computational study of some electric and magnetic properties of gaseous BF3 and BCl3
2005 A., Rizzo; Cappelli, Chiara; J. M., JUNQUERA HERNANDEZ; A. M. J., SANCHEZ DE MERAS; J., SANCHEZ MARIN; Helgaker, D. J. D. W. I. L. S. O. N. T.
Environmental effects on the spectroscopic properties of gallic acid: a combined classical and quantum mechanical study
2005 Cappelli, Chiara; B., Mennucci; S., Monti
Infrared Linear Dichroism in Stretched Films: Quantum Mechanical Approach Within the Polarizable Continuum Model
2005 Cappelli, Chiara; S., Corni; B., Mennucci; J., Tomasi; R., Cammi
The infrared and vibrational circular dichroism spectra of (S)proline in water: an ab initio study
2005 Cappelli, Chiara; S., Monti; A., Rizzo
A Computational Study of Conformational and Chiroptical Properties of (2R,3S,4R)- (+)-3,3’,4,4’,7-flavanpentol
2005 Cappelli, Chiara; S., Monti; S., Bronco
Effect of the Environment on Vibrational Infrared and Circular Dichroism Spectra of (S)-Proline
2005 Cappelli, Chiara; S., Monti; A., Rizzo
Density functional theory study of electric and magnetic properties of hexafluorobenzene in the vapor phase
2005 A., Rizzo; Cappelli, Chiara; B., Jansik; D., Jonsson; P., SA LEK; S., Coriani; D. J. D, Wilson; T., Helgaker; H., Agren
POLY 606-A Molecular Dynamics Approach to the Supramolecular Structure of Collagen and Related Binding Properties
2006 F., Ciardelli; S., Bronco; Cappelli, Chiara; S., Monti
Solvent effects on Raman Optical Activity spectra calculated using the Polarizable Continuum Model
2006 M., Pecul; E., Lamparska; Cappelli, Chiara; L., Frediani; K., Ruud
Towards the Design of Highly Selective Recognition Sites into Molecular Imprinting Polymers: a Computational Approach
2006 S., Monti; Cappelli, Chiara; S., Bronco; P., Giusti; G., Ciardelli
Density-functional-theory study of the electric-field-induced second harmonic generation (EFISHG) of pushpull phenylpolyenes in solution
2006 L., Ferrighi; L., Frediani; Cappelli, Chiara; P., Salek; H., Agren; T., Helgaker; K., Ruud
Modulation of the Superstructure and Response of Macromolecules through Molecular Interactions and Nanodispersion
2006 Ciardelli, F; Pieroni, O; Bronco, S; Cappelli, Chiara; Ruggeri, G; Pucci, A.
Dichroic Properties of Bis-benzoxazolyl-stilbene and Bis-benzoxazolyl-thiophene Dispersed into Oriented Polyethylene Films: a Combined Experimental and Density Functional Theory Approach
2006 Pucci, A; Cappelli, Chiara; S., Bronco; G., Ruggeri
Characterization of Supramolecular Polyphenol-Chromium(III) Clusters by Molecular Dynamics Simulations
2006 S., Bronco; Cappelli, Chiara; S., Monti
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
Continuum solvation approaches to vibrational properties
2007 Cappelli, Chiara
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