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Mostrati risultati da 1 a 20 di 163
Titolo Data di pubblicazione Autori Tipo File
Multireference Perturbation CI methods for solvated systems described within the polarizable continuum model 1999 CAPPELLI, Chiara + 1.1 Articolo in rivista
Interactions in Solvents and Solutions 2000 CAPPELLI, Chiara + 2.1 Contributo in volume (Capitolo o Saggio)
On the calculation of infrared intensities in solution within the Polarizable Continuum Model 2000 CAPPELLI, Chiara + 1.1 Articolo in rivista
Refinements on Solvation Continuum Models: Hydrogen-Bond Effects on the OH-Stretch in Liquid Water and Methanol 2000 CAPPELLI, Chiara + 1.1 Articolo in rivista
Nonequilibrium formulation of infrared frequencies and intensities in solution: analytical evaluation within the Polarizable Continuum Model 2000 CAPPELLI, Chiara + 1.1 Articolo in rivista
Solvent effects on trans/gauche conformational equilibria of substituted Chloroethanes: a Polarizable Continuum Model study 2001 CAPPELLI, Chiara + 1.1 Articolo in rivista
Electronic and vibrational dynamic solvent effects on Raman spectra 2001 CAPPELLI, Chiara + 1.1 Articolo in rivista
The Cotton-Mouton effect of gaseous N2, CO, CO2, N2O, OCS and CS2: a Density Functional approach to high-order mixed electric and magnetic properties 2001 CAPPELLI, Chiara + 1.1 Articolo in rivista
Theoretical approach to the calculation of vibrational Raman spectra in solution within the Polarizable Continuum Model 2001 CAPPELLI, Chiara + 1.1 Articolo in rivista
Solvent effects on vibrational modes: ab initio calculation, scaling and solvent functions with applications to the carbonyl stretch of dialkyl ketones 2001 CAPPELLI, Chiara + 1.1 Articolo in rivista
Molecular properties in solution described with a continuum solvation model 2002 CAPPELLI, Chiara + 1.1 Articolo in rivista
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 2002 CAPPELLI, Chiara + 1.1 Articolo in rivista
Errata: On the calculation of infrared intensities in solution within the Polarizable Continuum Model 2002 CAPPELLI, Chiara + 1.1 Articolo in rivista
Combining theory and experiment to study the photo-oxidation of polyethylene and polypropylene 2003 CAPPELLI, Chiara + 1.1 Articolo in rivista
The Cotton--Mouton effect of furan and its homologues in the gas phase, for the pure liquids and in solution 2003 CAPPELLI, Chiara + 1.1 Articolo in rivista
Prediction of solvent effects on vibrational intensities and Raman activities in solution with the Polarizable Continuum Model: a study of push-pull molecules 2003 CAPPELLI, Chiara + 1.1 Articolo in rivista
Composti particolarmente catalizzatori di poliuretani 2004 CAPPELLI, Chiara + 6.1 Brevetto
Understanding the Structural and Binding Properties of Collagen: a Theoretical Perspective 2004 CAPPELLI, Chiara + 1.1 Articolo in rivista
The molecular electric quadrupole moment and electric-field-gradient induced birefringence (Buckingham effect) of Cl2 2004 CAPPELLI, Chiara + 1.1 Articolo in rivista
Density functional and electron correlated study of five linear birefringences - Kerr, Cotton-Mouton, Buckingham, Jones and Magneto-electric - in gaseous benzene 2004 CAPPELLI, Chiara + 1.1 Articolo in rivista
Mostrati risultati da 1 a 20 di 163
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