CAMMI, Roberto
CAMMI, Roberto
Dipartimento di Scienze Chimiche, della Vita e della Sostenibilità Ambientale
A density functional theory study of structural and NMR properties of SNN thiosemicarbazone ligands and their Pd(II) chlorocomplexes
2003-01-01 C., Paiola; Cammi, Roberto; Pelagatti, Paolo; Pelizzi, Corrado
A new extension of the polarizable continuum model: Toward a quantum chemical description of chemical reactions at extreme high pressure
2015-01-01 Cammi, Roberto
A polarizable continuum model for molecules at diffuse interfaces
2004-01-01 Frediani, L.; Cammi, Roberto; Corni, S.; Tomasi, J.
A Quantum mechanical polarizable continuum model for the calculation of resonance Raman spectra in condensed phase
2007-01-01 Mennucci, B; Cappelli, C; Cammi, Roberto; J., Tomasi
A reappraisal of hydrogen bonding interaction obtained by combining interaction energy analyses and counterpoise corrections.
1989-01-01 G., Alagona; C., Ghio; Cammi, Roberto; J., Tomasi
A second-order, quadratically convergent multiconfigurational self-consistent field polarizable continuum model for equilibrium and nonequilibrium solvation
2002-01-01 Cammi, Roberto; R, Frediani; L, Mennucci; B, Tomasi; J, Ruud; K, Mikkelsen
A symmetry adapted tessellation of the GEPOL surface: Applications to molecular properties in solution
2001-01-01 Pomelli, Cs; Tomasi, J; Cammi, Roberto
Ab initio calculation of optical rotation
2000-01-01 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.
1996-01-01 M., Cossi; V., Barone; Cammi, Roberto; J., Tomasi
Ab-initio model to predict NMR shielding tensors for solutes in liquid crystals,
2003-01-01 Mennucci, B; Cammi, Roberto
Absolute stereochemistry and preferred conformations of urate degradation intermediates from computed and experimental circular dichroism spectra
2011-01-01 Silvio, Pipolo; Percudani, Riccardo; Cammi, Roberto
Activation volume and quantum tunneling in the hydrogen transfer reaction between methyl radical and methane: A first computational study
2024-01-01 Cammi, Roberto; Chen, Bo
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
1998-01-01 B., Champagne; B., Mennucci; M., Cossi; Cammi, Roberto; J., Tomasi
An algorithm for very high pressure molecular dynamics simulations
2024-01-01 Tesi, Marina; Cammi, Roberto; Granucci, Giovanni; Persico, Maurizio
An attempt to bridge the gap between computation and experiment for nonlinear optical properties: macroscopic susceptibilities in solution
2000-01-01 Cammi, Roberto; Mennucci, B.; Tomasi, J.
An open quantum system theory for polarizable continuum models
2020-01-01 Guido, C. A.; Rosa, M.; Cammi, R.; Corni, S.
Analytical calculation of pressure for confined atomic and molecular systems using the eXtreme-Pressure Polarizable Continuum Model
2018-01-01 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.
1994-01-01 Cammi, Roberto; J., Tomasi
Analytical derivatives for molecular solutes. II. Hartree-Fock energy first derivatives with respect to nuclear coordinates.
1994-01-01 Cammi, Roberto; J., Tomasi
Analytical derivatives for molecular solutes. III. Hartree-Fock static polarizability and hyperpolarizabilities in the polarizable continuum model.
1996-01-01 Cammi, Roberto; M., Cossi; J., Tomasi