Sfoglia per Autore
Molecular orbital description of core excitation spectra in transition metal compounds. An ab-initio CI calculation on TiCl4 and isoelectronic molecules
1994-01-01 Decleva, Pietro; Fronzoni, Giovanna; A., Lisini; Stener, Mauro
LCAO density functional calculations of core binding energy shifts of large molecules
1994-01-01 Stener, Mauro; Lisini, A; Decleva, Pietro
Accurate local density photoionization cross sections by LCAO Stieltjes Imaging approach
1995-01-01 Stener, Mauro; Lisini, A; Decleva, Pietro
Molecular photoionization cross sections by the local density LCAO Stieltjes Imaging approach
1995-01-01 Stener, Mauro; Decleva, Pietro; Lisini, A.
DENSITY FUNCTIONAL CALCULATIONS OF EXCITATIONS ENERGIES AND OSCILLATOR STRENGTHS FOR C1S->pi* AND O1S->pi* EXCITATIONS AND IONIZATION POTENTIALS IN CARBONYL CONTAINING MOLECULES
1995-01-01 Stener, Mauro; Lisini, A; Decleva, Pietro
Calculations of giant resonances and cross section profiles of valence ionizations of cubane by LCAO density functional Stieltjes imaging approach
1995-01-01 Stener, Mauro; Decleva, Pietro; Lisini, A.
Density Functional - Time Dependent Local Density Approximation Calculations of Autoionization Resonances in Noble Gases
1995-01-01 Stener, Mauro; Decleva, Pietro; Lisini, A.
Ab initio and Density Functional calculations of core excitation spectra of CO, H2CO and F2CO
1996-01-01 Fronzoni, Giovanna; Stener, Mauro; A., Lisini; Decleva, Pietro
NaxAu and CsxAu bimetal clusters: Finite size analogs of sodium-gold and cesium-gold compounds
1996-01-01 Heiz, U; Vayloyan, A; Schumacher, E; Yeretzian, C; Stener, Mauro; Gisdakis, P; Rösch, N.
TDLDA calculations of photoionization cross section and asymmetry parameter profiles of alkaline-earth atoms
1997-01-01 Stener, Mauro; DE ALTI, Giancarlo; Fronzoni, Giovanna; Decleva, Pietro
PHOTOIONIZATION OF ZINC BY TDLDA CALCULATIONS
1997-01-01 Stener, Mauro; Decleva, Pietro
From Clusters to Bulk. A Relativistic Density Functional Investigation on a series of Gold Clusters Aun, n = 6 ... 147.
1997-01-01 HÄBERLEN O., D; CHUNG S., C; Stener, Mauro; Rösch, N.
Photoionization of first and second row hydrides by the B-spline one-centre expansion density functional method
1998-01-01 Stener, Mauro; Decleva, Pietro
Theoretical study of the Cl 1s and 2p near edge photoabsorption spectra of HCl by accurate ab-initio CI and density functional approaches
1998-01-01 Fronzoni, Giovanna; Stener, Mauro; Decleva, Pietro; DE ALTI, Giancarlo
Valence photoionization of C6H6 by the B-spline one-centre expansion density functional method
1998-01-01 Venuti, M; Stener, Mauro; Decleva, Pietro
Molecular magnetic quantum dots in multivalent metal cluster compounds
1998-01-01 Sinzig, J; DE JONGH L., J; Ceriotti, A; DELLA PERGOLA, R; Longoni, G; Stener, Mauro; Albert, K; Rösch, N.
Theoretical description of the NEXAFS Cl 1s and 2p spectra of ClF and ClF3
1999-01-01 Fronzoni, Giovanna; Stener, Mauro; Decleva, Pietro
Theoretical study of resonances in the metal core photoionization of M@C60 (M=Li,Na,K)
1999-01-01 Decleva, Pietro; DE ALTI, Giancarlo; Fronzoni, Giovanna; Stener, Mauro
Theoretical study of the excited and continuum states in the NEXAFS region of Cl2
1999-01-01 Fronzoni, Giovanna; Stener, Mauro; Decleva, Pietro
Photoionization of CH4, SiH4, BH3 and AlH3 by the B-spline one-centre expansion density functional method
1999-01-01 Stener, Mauro; Decleva, Pietro
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