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Mostrati risultati da 1 a 20 di 286
Titolo Data di pubblicazione Autori File
Binding energies as computed by a one center expansion method 1-gen-1975 DECLEVA, PIETRO +
CNDO calculations of ring puckering potential energy 1-gen-1976 DECLEVA, PIETRO +
Ionized states of fluoromethanes computed by the SCF-MS-Xα method 1-gen-1977 DECLEVA, PIETRO +
Semi-empirical and ab initio calculations on cyclopentene ring puckering 1-gen-1977 DECLEVA, PIETRO +
Binding energies of CH3F and CH2F2 calculated by the overlapping sphere SCF MS Xα method 1-gen-1977 DECLEVA, PIETRO +
Binding energies of third row hydrides computed by a one-center expansion method 1-gen-1977 DECLEVA, PIETRO +
An MS-Xα study of the photoelectron spectra and bonding in the fluorosilanes 1-gen-1978 DECLEVA, PIETRO +
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 1-gen-1978 DECLEVA, PIETRO +
The ΔSCF formalism in the Xα method. An application to the fluoro-methanes 1-gen-1978 DECLEVA, PIETRO +
Conformational studies on 1,1-bis(methylthio)ethylene 1-gen-1979 DECLEVA, PIETRO +
MS-SCF-Xα calculation of the rotational barriers in ethane-like molecules 1-gen-1980 DECLEVA, PIETRO +
An MS-SCF-Xα calculation of the photoelectron and electronic spectrum of furan 1-gen-1980 DECLEVA, PIETRO +
The electronic structure of titanium(IV)chloride and vanadium(IV)chloride by an MS-SCF-Xα method. Assignment of photoelectron and electronic spectra 1-gen-1980 DECLEVA, PIETRO +
Trifluorides of nitrogen and phosphorus and their oxides. An MS-SCF-Xα calculation of the electronic structure and photoelectron spectra 1-gen-1980 DECLEVA, PIETRO +
An XαInvestigation of Photoelectron Spectra and Bond Structure of Fluorides and Oxyfluorides of Nitrogen and Phosphorus 1-gen-1981 DECLEVA, PIETRO +
Photoelectron spectra and electronic structure of furan homologues computed by the ms scf Xα method 1-gen-1981 DECLEVA, PIETRO +
On the validity of the Xα method in the computation of ionization potentials. A comparison of the results for small molecules 1-gen-1982 DECLEVA, PIETRO +
Theoretical study of shake-up in the core photoelectron spectra of the alkali atoms 1-gen-1983 DECLEVA, PIETRO +
MS Xα and LCAO Xα calculations of ionization potentials. A comparison with Koopmans' theorem and accurate calculations 1-gen-1983 DECLEVA, PIETRO +
A theoretical study of shake up structure of benzene and furan homologs 1-gen-1983 DECLEVA, PIETRO +
Mostrati risultati da 1 a 20 di 286
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