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Multireference Perturbation CI methods for solvated systems described within the polarizable continuum model 1-gen-1999 Mennucci, Benedetta; A., Toniolo; Cappelli, Chiara
Multireference perturbation configuration interaction methods for solvated systems described within the polarizable continuum model 1-gen-1999 Mennucci, Benedetta; A., Toniolo; Cappelli, Chiara
Refinements on Solvation Continuum Models: Hydrogen-Bond Effects on the OH-Stretch in Liquid Water and Methanol 1-gen-2000 Cappelli, Chiara; Mennucci, Benedetta; DA SILVA, C. O.; Tomasi, Iacopo
Nonequilibrium formulation of infrared frequencies and intensities in solution: analytical evaluation within the Polarizable Continuum Model 1-gen-2000 Cappelli, Chiara; S., Corni; R., Cammi; Mennucci, Benedetta; Tomasi, Iacopo
On the calculation of infrared intensities in solution within the Polarizable Continuum Model 1-gen-2000 R., Cammi; Cappelli, Chiara; S., Corni; J., Tomasi
Solvent Effects on Vibrational Modes: ab-initio calculations, scaling and solvent functions with applications to the carbonyl stretch of dialkyl ketones 1-gen-2000 Cappelli, Chiara; C. O., DA SILVA; J., Tomasi
Interactions in Solvents and Solutions 1-gen-2000 Tomasi, Iacopo; Mennucci, Benedetta; Cappelli, Chiara
Theoretical approach to the calculation of vibrational Raman spectra in solution within the Polarizable Continuum Model 1-gen-2001 Corni, S.; Cappelli, Chiara; Cammi, R.; Tomasi, Iacopo
Solvent effects on trans/gauche conformational equilibria of substituted Chloroethanes: a Polarizable Continuum Model study 1-gen-2001 Cappelli, Chiara; S., Corni; Tomasi, Iacopo
Electronic and vibrational dynamic solvent effects on Raman spectra 1-gen-2001 Cappelli, Chiara; Corni, S.; Tomasi, Iacopo
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 1-gen-2001 Cappelli, Chiara; Mennucci, Benedetta; Tomasi, Iacopo; R., Cammi; A., Rizzo
The Cotton-Mouton effect of gaseous N₂, CO, CO₂, OCS and CS₂: a Density Functional approach to high-order mixed electric and magnetic properties 1-gen-2001 Cappelli, Chiara; Mennucci, Benedetta; J., Tomasi; R., Cammi; A., Rizzo
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 1-gen-2002 Cappelli, Chiara; Corni, S.; Mennucci, Benedetta; Cammi, R.; Tomasi, J.
Molecular properties in solution described with a continuum solvation model 1-gen-2002 Tomasi, Iacopo; Cammi, R.; Mennucci, Benedetta; Cappelli, Chiara; Corni, S.
Errata: On the calculation of infrared intensities in solution within the Polarizable Continuum Model 1-gen-2002 R., Cammi; Cappelli, Chiara; S., Corni; J., Tomasi
The Cotton--Mouton effect of furan and its homologues in the gas phase, for the pure liquids and in solution 1-gen-2003 Cappelli, Chiara; A., Rizzo; Mennucci, Benedetta; Tomasi, Iacopo; R., Cammi; G. L. J. A., Rikken; R., Mathevet; C., Rizzo
Prediction of solvent effects on vibrational absorption intensities and Raman activities in solution within the Polarizable Continuum Model: a study on pushpull molecules 1-gen-2003 S., Corni; Cappelli, Chiara; M., DEL ZOPPO; J., Tomasi
Combining theory and experiment to study the photo-oxidation of polyethylene and polypropylene 1-gen-2003 M., Bertoldo; S., Bronco; Cappelli, Chiara; T., Gragnoli; L., Andreotti
Second-order Møller Plesset second derivatives for the Polarizable Continuum Model: theoretical bases and application to solvent effects in electrophilic bromination of ethylene 1-gen-2004 R., Cammi; Mennucci, Benedetta; Pomelli, CHRISTIAN SILVIO; Cappelli, Chiara; S., Corni; L., Frediani; G. W, Trucks; M. J., Frisch
The molecular electric quadrupole moment and electric-field-gradient induced birefringence (Buckingham effect) of Cl2 1-gen-2004 Cappelli, Chiara; U., Ekstrom; A., Rizzo; S., Coriani
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