Sfoglia per Autore
Counterpoise Corrections to the Interaction Energy Components in Bimolecular Complexes.
1985-01-01 Cammi, Roberto; R., Bonaccorsi; J., Tomasi
Symmetry Descent in Molecular Systems
1986-01-01 Cammi, Roberto; Oleari, Claudio; Oleari, Luigi
Counterpoise Corrections to the Evaluation of the Bimolecular Interaction Energy Components. On the decoupling of the Emix term
1986-01-01 Cammi, Roberto; J., Tomasi
The decomposition of the SCF interaction energy in hydrogen bonded dimers corrected for basis set superposition errors: an examination of the basis set dependence.
1987-01-01 G., Alagona; C., Ghio; Cammi, Roberto; J., Tomasi
The effect of ''Full`` and ''Limited`` counterpoise corrections with different basis sets on the energy and equilibrium distances of hydrogen bonded dimers.
1987-01-01 G., Alagona; C., Ghio; Cammi, Roberto; J., Tomasi
Decomposition of the interaction energy between metal cations and water or ammonia with inclusion of the counterpoise corrections to the interaction energy terms.
1988-01-01 Cammi, Roberto; H. J., Hofmann; J., Tomasi
Decomposition of the interaction energy with counterpoise corrections to the basis set superposition error for dimers in solution. Method and application to the hydrogen fluoride dimer.
1988-01-01 Cammi, Roberto; F. J., Olivares del Valle; 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
Theoretical Chemistry in solution. Some results and perspectives of the continuum methods and in particular of the Polarizable Continuum Model.
1991-01-01 J., Tomasi; R., Bonaccorsi; Cammi, Roberto; F. J., Olivares del Valle
The Extramolecular Electrostatic Potential: an Indicator of the Chemical Reactivity
1991-01-01 J., Tomasi; R., Bonaccorsi; Cammi, Roberto
Semiclassical Interpretation of Intramolecular Interactions
1991-01-01 J., Tomasi; G., Alagona; R., Bonaccorsi; C., Ghio; Cammi, Roberto
On the ab-initio geometry optimization of molecular solutes.
1991-01-01 R., Bonaccorsi; Cammi, Roberto; J., Tomasi
Low temperature absorption spectrum of LiNiPO4
1991-01-01 Belletti, Alessandro; Borromei, Renato; Cammi, Roberto; Cavalli, Enrico
Molecular-distortions analysis with Cartesian symmetry coordinates.
1992-01-01 Cammi, Roberto; Cavalli, Enrico
Molecular interactions in a homogeneous electric field: the (HF)_{2} complex.
1993-01-01 G., Alagona; Cammi, Roberto; C., Ghio; J., Tomasi
SYMMETRY - A COMPUTER-PROGRAM FOR THE ANALYSIS OF THE DISTORTIONS OF THE MX(6)(O-H) AND MX(4)(T-D) COMPLEXES IN CRYSTALLINE ENVIRONMENTS
1994-01-01 Cavalli, Enrico; Cammi, Roberto
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
Nonequilibrium solvation theory for the polarizable continuum model: a new formulation at the SCF level with application to the case of the frequency-dependent linear electric response function.
1995-01-01 Cammi, Roberto; J., Tomasi
Analytical expressions of the free energy derivatives for molecules in solution. Application to the geometry optimization.
1995-01-01 M., Cossi; Cammi, Roberto; J., Tomasi
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