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BASIS SET AND GAUGE DEPENDENCE OF ABINITIO RADIATIVE LIFETIMES FOR THE A 2-SIGMA+ STATE OF THE HF+ MOLECULE 1-gen-1990 Cacelli, Ivo
THE CALCULATION OF PHOTOIONIZATION CROSS-SECTIONS OF SIMPLE POLYATOMIC-MOLECULES BY L2 METHODS 1-gen-1991 Cacelli, Ivo; Carravetta, V; Rizzo, A; Moccia, Roberto
The photodissociation of dimethylnitrosamine studied by classical trajectories on ab initio potential energy surfaces. 1-gen-1991 Persico, Maurizio; Cacelli, Ivo; Ferretti, A.
MOLECULAR DIFFERENTIAL PHOTOIONIZATION CROSS-SECTION CALCULATIONS WITH L2 BASIS FUNCTIONS IN THE RANDOM-PHASE APPROXIMATION - RESULTS FOR H2O 1-gen-1992 Cacelli, Ivo; Carravetta, V; Moccia, Roberto
Theoretical study of the dissociation of HF+ in the B 2Sigma+ state by quantum mechanical methods 1-gen-1992 Cacelli, Ivo
GAUSSIAN-TYPE ORBITAL BASIS-SETS FOR THE CALCULATION OF CONTINUUM PROPERTIES IN MOLECULES - THE PHOTOIONIZATION CROSS-SECTION OF H-2 1-gen-1993 Cacelli, Ivo; Moccia, Roberto; Rizzo, A.
DIFFERENTIAL PHOTOIONIZATION CROSS-SECTION CALCULATIONS FOR H2S USING THE RANDOM-PHASE-APPROXIMATION WITH L(2) BASIS FUNCTIONS 1-gen-1994 Cacelli, Ivo; Carravetta, V; Moccia, R.
GAUSSIAN-TYPE ORBITALS BASIS-SETS FOR THE CALCULATION OF CONTINUUM PROPERTIES IN MOLECULES - THE DIFFERENTIAL PHOTOIONIZATION CROSS-SECTION OF LI-2 AND LIH 1-gen-1995 Cacelli, Ivo; Moccia, Roberto; Rizzo, A.
CALCULATION OF THE DIFFERENTIAL 2-PHOTON IONIZATION CROSS-SECTION OF H2S 1-gen-1995 Cacelli, Ivo; Carravetta, V; Rizzo, A; Moccia, Roberto
STRUCTURE AND PROPERTIES OF FRACTIONAL CHARGE MOLECULAR-SYSTEMS - QUARK MOLECULAR-HYDROGEN IONS 1-gen-1995 Cacelli, Ivo; Rizzo, A.
Calculation of the differential photoionization cross section of HF 1-gen-1996 Cacelli, Ivo; Carravetta, V.
Differential photoionization cross section calculations for HI using the random-phase approximation with L(2) basis functions 1-gen-1996 Cacelli, Ivo; Moccia, Roberto
Calculation of the photoabsorption of HF in the Vacuum UV 1-gen-1996 Cacelli, Ivo
Differential photoionization cross section calculation of NH3 in the random phase approximation 1-gen-1996 Cacelli, Ivo; Carravetta, V.
Theoretical study of the 15- and 17-electron structures of Cyclopentadienyl-Cromium(III) and of Cyclopentadienyl-Molybdenum(III) complexes. Dicloride and dimethyl compounds 1-gen-1997 Cacelli, Ivo; Keogh D., W; Poli, R; Rizzo, A.
Electron pairing as a stabilizing factor in open-shell organometallics. The case of 15-electron CpMCl(2)(PH3) (M=Cr and Mo) 1-gen-1997 Cacelli, Ivo; Keogh, Dw; Poli, R; Rizzo, A.
Performance of polynomial Gaussian functions in describing the molecular electronic continuum 1-gen-1997 Cacelli, Ivo
Solvent effect on the optical properties of (NH3)5RU-pyrazine+M (M=2,3) complexes by ab initio calculations. 1-gen-1998 Ferretti, A; Cacelli, Ivo
Solvent effect on the optical properties of [(NH3)(5)Ru-pyrazine](+m) (m=2,3) complexes by ab initio calculations 1-gen-1998 Cacelli, Ivo; Ferretti, A.
Gaussian-type-orbital basis sets for the calculation of continuum properties in molecules: The differential photoionization cross section of molecular nitrogen 1-gen-1998 Cacelli, Ivo; Moccia, Roberto; Rizzo, A.
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