Sfoglia per Autore
Ab initio application of the Equation of Motion method to the excited states of allene, ketene and diazomethane
1985-01-01 V., Galasso; Fronzoni, Giovanna
Ab initio investigation of the electron correlation effect on Ramsey's terms of the nuclear spin-spin coupling tensor
1985-01-01 Fronzoni, Giovanna; V., Galasso
Theoretical determination of the indirect nuclear spin-spin coupling tensors, nuclear screening tensors, and magnetic susceptibilities of multiply bonded systems via the Equation of Motion method
1986-01-01 V., Galasso; Fronzoni, Giovanna
Ab initio study of the nuclear spin-spin coupling constants and magnetic shielding constants in silicon derivatives via the Equation of Motion method
1986-01-01 Fronzoni, Giovanna; V., Galasso
Ab initio study of the J(BB) and J(BH) coupling constants in polyboranes via the coupled-Hartree-Fock and Equation of Motion methods
1986-01-01 V., Galasso; Fronzoni, Giovanna
Theoretical ab initio calculation of the indirect nuclear spin-spin coupling constants of monohetero cyclopropanes and cyclopropenes via the Equation of Motion method
1987-01-01 Fronzoni, Giovanna; V., Galasso
Ab initio study of the low-lying excited states of cyclopropene by the Equation of Motion method
1987-01-01 Fronzoni, Giovanna; V., Galasso
Green's Function ab initio study of the outer valence ionization energies of monoheterocyclopropenes
1987-01-01 Fronzoni, Giovanna; V., Galasso
An analysis of Configuration Interaction model spaces for the study of the core photoelectron spectra of small molecules
1988-01-01 Lisini, Adriana; Fronzoni, Giovanna; Decleva, Pietro
Theoretical study of the correlation effects in the photoelectron spectrum of bis(*-allyl)nickel
1989-01-01 Decleva, Pietro; Fronzoni, Giovanna; A., Lisini
2h-1p correlation effects and virtual model spaces for the description of photolelectron spectra of complex molecules
1989-01-01 Decleva, Pietro; Fronzoni, Giovanna; DE ALTI, Giancarlo; A., Lisini
Theoretical study of the satellite structure in the photoelectron spectra of Neon and Argon
1990-01-01 Decleva, Pietro; DE ALTI, Giancarlo; Fronzoni, Giovanna; A., Lisini
Theoretical study of the electronic structure and photoelectron spectra of Ni(CO)4, Co(CO)3NO, Fe(CO)2(NO)2, MnCO(NO)3 and Cr(NO)4
1991-01-01 Decleva, Pietro; Fronzoni, Giovanna; G., DE ALTI; A., Lisini
Correlation effects on ionization energies. A comparison of ab initio and LDA results
1991-01-01 Decleva, Pietro; Fronzoni, Giovanna; Lisini, A.
Theoretical study of the satellite structure in the valence photoelectron spectra of the second and third row hydrides
1991-01-01 A., Lisini; Decleva, Pietro; Fronzoni, Giovanna
A comparative study of the satellite structures in the photoelectron spectra of the Ne, Ar and Kr isoelectronic hydrides
1992-01-01 M., Brosolo; Decleva, Pietro; Fronzoni, Giovanna; A., Lisini
2p excitation spectra of transition metal compounds as a probe of local electronic structure: a theoretical determination
1992-01-01 Decleva, Pietro; Fronzoni, Giovanna; A., Lisini
CI models for the description of many-body effects in the photoionization spectra
1992-01-01 Decleva, Pietro; DE ALTI, Giancarlo; Fronzoni, Giovanna; Lisini, A.
Many-body effects in the valence photoelectron spectra of the third row hydrides: a configuration interaction approach
1992-01-01 A., Lisini; M., Brosolo; Decleva, Pietro; Fronzoni, Giovanna
CI calculations of the inner and outer photoelectron spectra of the fourth row hydrides
1992-01-01 Fronzoni, Giovanna; G., DE ALTI; Decleva, Pietro; A., Lisini
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