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Counterpoise Corrections to the Interaction Energy Components in Bimolecular Complexes. 1-gen-1985 Cammi, Roberto; R., Bonaccorsi; J., Tomasi
Counterpoise Corrections to the Evaluation of the Bimolecular Interaction Energy Components. On the decoupling of the Emix term 1-gen-1986 Cammi, Roberto; J., Tomasi
Symmetry Descent in Molecular Systems 1-gen-1986 Cammi, Roberto; Oleari, Claudio; Oleari, Luigi
The effect of ''Full`` and ''Limited`` counterpoise corrections with different basis sets on the energy and equilibrium distances of hydrogen bonded dimers. 1-gen-1987 G., Alagona; C., Ghio; 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. 1-gen-1987 G., Alagona; C., Ghio; Cammi, Roberto; 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. 1-gen-1988 Cammi, Roberto; F. J., Olivares del Valle; 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. 1-gen-1988 Cammi, Roberto; H. J., Hofmann; J., Tomasi
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
The Extramolecular Electrostatic Potential: an Indicator of the Chemical Reactivity 1-gen-1991 J., Tomasi; R., Bonaccorsi; Cammi, Roberto
On the ab-initio geometry optimization of molecular solutes. 1-gen-1991 R., Bonaccorsi; Cammi, Roberto; J., Tomasi
Low temperature absorption spectrum of LiNiPO4 1-gen-1991 Belletti, Alessandro; Borromei, Renato; Cammi, Roberto; Cavalli, Enrico
Theoretical Chemistry in solution. Some results and perspectives of the continuum methods and in particular of the Polarizable Continuum Model. 1-gen-1991 J., Tomasi; R., Bonaccorsi; Cammi, Roberto; F. J., Olivares del Valle
Semiclassical Interpretation of Intramolecular Interactions 1-gen-1991 J., Tomasi; G., Alagona; R., Bonaccorsi; C., Ghio; Cammi, Roberto
Molecular-distortions analysis with Cartesian symmetry coordinates. 1-gen-1992 Cammi, Roberto; Cavalli, Enrico
Molecular interactions in a homogeneous electric field: the (HF)_{2} complex. 1-gen-1993 G., Alagona; Cammi, Roberto; C., Ghio; J., Tomasi
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
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 1-gen-1994 Cavalli, Enrico; Cammi, Roberto
Analytical derivatives for molecular solutes. II. Hartree-Fock energy first derivatives with respect to nuclear coordinates. 1-gen-1994 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. 1-gen-1995 Cammi, Roberto; J., Tomasi
Remarks on the use of the apparent surface charges (ASC) methods in solvation problems: iterative versus matrix-inversion procedures and renormalization of the apparent charges. 1-gen-1995 Cammi, Roberto; J., Tomasi
Mostrati risultati da 1 a 20 di 162
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