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Titolo Data di pubblicazione Autore(i) File
Modeling Solvent Effects on Chiroptical Properties 1-gen-2011 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 1-gen-2010 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 1-gen-2010 Tomasi, Iacopo; Cappelli, Chiara; Mennucci, Benedetta; R., Cammi
On the Performance of Continuum Solvation Methods. A Comment on “Universal Approaches to Solvation Modeling” 1-gen-2009 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 1-gen-2009 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 1-gen-2008 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 1-gen-2007 Mennucci, Benedetta; Cappelli, Chiara; Cammi, R; Tomasi, Iacopo
Cationic dye dimers: a theoretical study 1-gen-2007 P., HOMEM DE MELLO; Mennucci, Benedetta; Tomasi, Iacopo; A. B. F., DA SILVA
How solvent controls electronic energy transfer and light harvesting 1-gen-2007 G. D., Scholes; C., Curutchet; Mennucci, Benedetta; R., Cammi; Tomasi, Iacopo
DFT calculations of deuterium quadrupolar tensor in crystal anthracene 1-gen-2006 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 1-gen-2006 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 1-gen-2006 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 1-gen-2006 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 1-gen-2006 Caricato, M; Mennucci, Benedetta; Tomasi, Iacopo
Studying SERS from metal nanoparticles and nanoparticle aggregates with continuum models 1-gen-2006 Corni, S; Tomasi, Iacopo
A time-dependent Polarizable Continuum Model: theory and application 1-gen-2005 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 1-gen-2005 Cammi, R.; Corni, S.; Mennucci, Benedetta; Tomasi, Iacopo
Infrared Linear Dichroism in Stretched Films: Quantum Mechanical Approach Within the Polarizable Continuum Model 1-gen-2005 Cappelli, Chiara; S., Corni; Mennucci, Benedetta; Tomasi, Iacopo; R., Cammi
Quantum Mechanical Continuum Solvation Models 1-gen-2005 Tomasi, Iacopo; Mennucci, Benedetta; Cammi, R.
Solvation Dynamics in Acetonitrile: A Study Incorporating Solute Electronic Response and Nuclear Relaxation 1-gen-2005 F., Ingrosso; B. M., Ladanyi; Mennucci, Benedetta; M. D., Elola; Tomasi, Iacopo