CAMMI, Roberto

CAMMI, Roberto  

Dipartimento di Scienze Chimiche, della Vita e della Sostenibilità Ambientale  

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Risultati 1 - 20 di 162 (tempo di esecuzione: 0.007 secondi).
Titolo Data di pubblicazione Autore(i) File
A reappraisal of hydrogen bonding interaction obtained by combining interaction energy analyses and counterpoise corrections. 1-gen-1989 G., Alagona; C., Ghio; Cammi, Roberto; J., Tomasi
A symmetry adapted tessellation of the GEPOL surface: Applications to molecular properties in solution 1-gen-2001 Pomelli, Cs; Tomasi, J; Cammi, Roberto
Ab initio calculation of optical rotation 1-gen-2000 Cheeseman, Jr; Frisch, Mj; Devlin, Fj; Stephens, Pj; Cammi, Roberto; Mennucci, B; Tomasi, J.
Ab Initio study of solvated molecules: a new implementation of the Polarizable Continuum Model. 1-gen-1996 M., Cossi; V., Barone; Cammi, Roberto; J., Tomasi
Ab-initio model to predict NMR shielding tensors for solutes in liquid crystals, 1-gen-2003 Mennucci, B; Cammi, Roberto
Absolute stereochemistry and preferred conformations of urate degradation intermediates from computed and experimental circular dichroism spectra 1-gen-2011 Silvio, Pipolo; Percudani, Riccardo; Cammi, Roberto
An ab initio time-dependent Hartree-Fock study of solvent effects on the polarizability and second hyperpolarizability of polacetylene chains within the Polarizable Continuum Model 1-gen-1998 B., Champagne; B., Mennucci; M., Cossi; Cammi, Roberto; J., Tomasi
An attempt to bridge the gap between computation and experiment for nonlinear optical properties: macroscopic susceptibilities in solution 1-gen-2000 Cammi, Roberto; Mennucci, B.; Tomasi, J.
Analytical calculation of pressure for confined atomic and molecular systems using the eXtreme-Pressure Polarizable Continuum Model 1-gen-2018 Cammi, Roberto; Chen, Bo; Rahm, Martin
Analytical derivatives for molecular solutes. I. Hartree-Fock energy first derivatives with respect to external parameters in the polarizable continuum model. 1-gen-1994 Cammi, Roberto; J., Tomasi
Analytical derivatives for molecular solutes. II. Hartree-Fock energy first derivatives with respect to nuclear coordinates. 1-gen-1994 Cammi, Roberto; J., Tomasi
Analytical derivatives for molecular solutes. III. Hartree-Fock static polarizability and hyperpolarizabilities in the polarizable continuum model. 1-gen-1996 Cammi, Roberto; M., Cossi; J., Tomasi
Analytical Derivatives Theory 1-gen-2013 Cammi, Roberto
Analytical expressions of the free energy derivatives for molecules in solution. Application to the geometry optimization. 1-gen-1995 M., Cossi; Cammi, Roberto; J., Tomasi
Analytical first derivatives of molecular surfaces with respect to nuclear coordinates. 1-gen-1996 Cammi, Roberto; M., Cossi; B., Mennucci
Analytical free energy second derivatives with respect to nuclear coordinates: Complete formulation for electrostatic continuum solvation models 1-gen-1999 Mennucci, B; Cammi, Roberto; Tomasi, J.
Analytical Hartree-Fock calculation of the dynamical polarizabilities, \alpha, \beta, and \gamma of molecules in solution. 1-gen-1996 Cammi, Roberto; M., Cossi; B., Mennucci; J., Tomasi
Calculation and analysis of the harmonic vibrational frequencies in molecules at extreme pressure: Methodology and diborane as a test case 1-gen-2012 Cammi, Roberto; C., Cappelli; B., Mennucci; J., Tomasi
The calculation of excited-state polarizabilities of solvated molecules 1-gen-2004 Ruud, K.; Mennucci, B.; Cammi, Roberto; Frediani, L.
Calculation of nonlinear optical susceptibilities of pure liquids within the Polarizable Continuum Model: the effect of the macroscopic nonlinear polarization at the output frequency, 1-gen-2003 Cammi, Roberto; L., Frediani; B., Mennucci; J., Tomasi