Sfoglia per Autore
Binding energies as computed by a one center expansion method
1975-01-01 G., de Alti; Decleva, Pietro
CNDO calculations of ring puckering potential energy
1976-01-01 Giancarlo De, Alti; Decleva, Pietro
Binding energies of CH3F and CH2F2 calculated by the overlapping sphere SCF MS Xα method
1977-01-01 G., de Alti; Decleva, Pietro; A., Sgamellotti
Binding energies of third row hydrides computed by a one-center expansion method
1977-01-01 G., De Alti; Decleva, Pietro
Semi-empirical and ab initio calculations on cyclopentene ring puckering
1977-01-01 Giancarlo De, Alti; Decleva, Pietro
Ionized states of fluoromethanes computed by the SCF-MS-Xα method
1977-01-01 Giancarlo De, Alti; Decleva, Pietro; Antonio, Sgamellotti
An analysis of the partition of the molecular space in the SCF-MS-Xα method: Calculations of the valence ionization potentials of monofluoro- and difluorosilane
1978-01-01 De Alti, Giancarlo; Decleva, Pietro; Sgamellotti, Antonio
The ΔSCF formalism in the Xα method. An application to the fluoro-methanes
1978-01-01 Giancarlo De, Alti; Decleva, Pietro; Antonio, Sgamellotti
An MS-Xα study of the photoelectron spectra and bonding in the fluorosilanes
1978-01-01 Giancarlo De, Alti; Decleva, Pietro; Antonio, Sgamellotti
Conformational studies on 1,1-bis(methylthio)ethylene
1979-01-01 Giancarlo de, Alti; Decleva, Pietro; Antonio, Sgamellotti
MS-SCF-Xα calculation of the rotational barriers in ethane-like molecules
1980-01-01 Giancarlo De, Alti; Decleva, Pietro; Adriana, Lisini
The electronic structure of titanium(IV)chloride and vanadium(IV)chloride by an MS-SCF-Xα method. Assignment of photoelectron and electronic spectra
1980-01-01 ., De Alti; Decleva, Pietro; G., Ciullo; A., Sgamellotti; F., Tarantelli
Trifluorides of nitrogen and phosphorus and their oxides. An MS-SCF-Xα calculation of the electronic structure and photoelectron spectra
1980-01-01 G., Ciullo; A., Sgamellotti; F., Tarantelli; G., De Alti; Decleva, Pietro
An MS-SCF-Xα calculation of the photoelectron and electronic spectrum of furan
1980-01-01 G., De Alti; Decleva, Pietro; A., Sgamellotti
An XαInvestigation of Photoelectron Spectra and Bond Structure of Fluorides and Oxyfluorides of Nitrogen and Phosphorus
1981-01-01 G., Ciullo; A., Sgamellotti; F., Tarantelli; C., Famiglietti; G., De Alti; Decleva, Pietro
Photoelectron spectra and electronic structure of furan homologues computed by the ms scf Xα method
1981-01-01 Giancarlo De, Alti; Decleva, Pietro
On the validity of the Xα method in the computation of ionization potentials. A comparison of the results for small molecules
1982-01-01 Giancarlo De, Alti; Decleva, Pietro; Adriana, Lisini
A theoretical study of shake up structure of benzene and furan homologs
1983-01-01 G., De Alti; Decleva, Pietro
Theoretical study of shake-up in the core photoelectron spectra of the alkali atoms
1983-01-01 G., de Alti; Decleva, Pietro; A., Lisini
Configuration interaction with Xα orbitals. A CI and RSPT study of the ground and ionized states of the Be atom
1983-01-01 G., De Alti; Decleva, Pietro; A., Lisini
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