TOMASI, IACOPO Statistiche
TOMASI, IACOPO
DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE
Modeling Solvent Effects on Chiroptical Properties
2011-01-01 Mennucci, Benedetta; Cappelli, Chiara; Cammi, R; Tomasi, Iacopo
Cavity field effects within a polarizable continuum model of solvation: application to the calculation of electronic circular dichroism spectra of R-(+)-3-Methylcyclopentanone
2010-01-01 S., Pipolo; R., Cammi; A., Rizzo; Cappelli, Chiara; Mennucci, Benedetta; Tomasi, Iacopo
From Molecular Electrostatic Potentials to Solvation Models and Ending with Biomolecular Photophysical Processes, in Quantum Biochemistry
2010-01-01 Tomasi, Iacopo; Cappelli, Chiara; Mennucci, Benedetta; R., Cammi
On the Performance of Continuum Solvation Methods. A Comment on “Universal Approaches to Solvation Modeling”
2009-01-01 A., Klamt; Mennucci, Benedetta; Tomasi, Iacopo; V., Barone; CURUTCHET BARAT, CARLES EDUARD; M., Orozco; F. J., Luque
Properties of excited states of molecules in solution described with continuum solvation models
2009-01-01 R., Cammi; Cappelli, Chiara; Mennucci, Benedetta; Tomasi, Iacopo
How the environment controls absorption and fluorescence spectra of PRODAN: a quantum-mechanical study in homogeneous and heterogeneous media
2008-01-01 Mennucci, Benedetta; M., Caricato; F., Ingrosso; Cappelli, Chiara; R., Cammi; Tomasi, Iacopo; G, Scalmani; M. J., Frisch
A quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase
2007-01-01 Mennucci, Benedetta; Cappelli, Chiara; Cammi, R; Tomasi, Iacopo
Cationic dye dimers: a theoretical study
2007-01-01 P., HOMEM DE MELLO; Mennucci, Benedetta; Tomasi, Iacopo; A. B. F., DA SILVA
How solvent controls electronic energy transfer and light harvesting
2007-01-01 G. D., Scholes; C., Curutchet; Mennucci, Benedetta; R., Cammi; Tomasi, Iacopo
DFT calculations of deuterium quadrupolar tensor in crystal anthracene
2006-01-01 Pavanello, M; Mennucci, Benedetta; Tomasi, Iacopo
Dispersion and Repulsion Contributions to the Solvation Free Energy: Comparison of Quantum Mechanical and Classical Approaches in the Polarizable Continuum Model
2006-01-01 C., Curutchet; M., Orozco; J., Luque; Mennucci, Benedetta; Tomasi, Iacopo
Formation and relaxation of excited states in solution: a new time dependent Polarizable Continuum Model based on Time-Dependent Density Functional theory
2006-01-01 M., Caricato; Mennucci, Benedetta; Tomasi, Iacopo; F., Ingrosso; R., Cammi; S., Corni; G., Scalmani
Geometries and Properties of Excited States in the Gas Phase and in Solution. Theory and Application of a Time-Dependent DFT Polarizable Continuum Model
2006-01-01 G., Scalmani; M. J., Frisch; Mennucci, Benedetta; Tomasi, Iacopo; R., Cammi; V., Barone
Solvent polarity scales revisited: A ZINDO-PCM study of solvatochromism of betaine -30
2006-01-01 Caricato, M; Mennucci, Benedetta; Tomasi, Iacopo
Studying SERS from metal nanoparticles and nanoparticle aggregates with continuum models
2006-01-01 Corni, S; Tomasi, Iacopo
A time-dependent Polarizable Continuum Model: theory and application
2005-01-01 M., Caricato; F., Ingrosso; Mennucci, Benedetta; Tomasi, Iacopo
Electronic excitation energies of molecules in solution: State specific and linear response methods for non-equilibrium solvation models
2005-01-01 Cammi, R.; Corni, S.; Mennucci, Benedetta; Tomasi, Iacopo
Infrared Linear Dichroism in Stretched Films: Quantum Mechanical Approach Within the Polarizable Continuum Model
2005-01-01 Cappelli, Chiara; S., Corni; Mennucci, Benedetta; Tomasi, Iacopo; R., Cammi
Quantum Mechanical Continuum Solvation Models
2005-01-01 Tomasi, Iacopo; Mennucci, Benedetta; Cammi, R.
Solvation Dynamics in Acetonitrile: A Study Incorporating Solute Electronic Response and Nuclear Relaxation
2005-01-01 F., Ingrosso; B. M., Ladanyi; Mennucci, Benedetta; M. D., Elola; Tomasi, Iacopo