Sfoglia per Autore
Similarities and differences between cobalamins and cobaloximes. Accurate structural determination of methylcobalamin and of LiCl- and KCl-containing cyanocobalamins by synchrotron radiation
2000-01-01 Randaccio, Lucio; Furlan, M.; Geremia, Silvano; Slouf, M.; Srnova, I.; Toffoli, Daniele
Application of the Time-Dependent Density Functional Theory to the Photoionization of Xe
2002-01-01 Toffoli, Daniele; Stener, Mauro; Decleva, Pietro
Time Dependent Density Functional Photoionization of CH4, NH 3, H2O and HF
2002-01-01 Stener, Mauro; Fronzoni, Giovanna; Toffoli, Daniele; Decleva, Pietro
Electronic properties of the axial Co–C and Co–S bonds in B12 systems – a density functional study
2002-01-01 Randaccio, Lucio; Geremia, Silvano; Stener, Mauro; Toffoli, Daniele; Zangrando, Ennio
Photoionization of mercury: A relativistic time-dependent density-functional-theory approach
2002-01-01 Toffoli, Daniele; Stener, Mauro; Decleva, Pietro
Valence and Core Photoemission in M@C60 (M=Be, Mg, Ca)
2002-01-01 Stener, Mauro; Fronzoni, Giovanna; Toffoli, Daniele; P., Colavita; S., Furlan; Decleva, Pietro
Convergence of the multicenter B-spline DFT approach for the continuum
2002-01-01 Toffoli, Daniele; Stener, Mauro; Fronzoni, Giovanna; Decleva, Pietro
Least squares B-spline solutions of the radial Dirac equation in the continuum
2003-01-01 Toffoli, Daniele; Decleva, Pietro
3d Photoionization along the Xenon isoelectronic series
2003-01-01 Toffoli, Daniele; Stener, Mauro; Decleva, Pietro
Cross-section and asymmetry-parameter calculations for the outer- and inner-valence photoionization of ethane
2004-01-01 Toffoli, Daniele; Simpson, Mary J.; Lucchese, Robert R.
Symmetry- And multiplet-resolved N 1s photoionization cross sections of the NO2 molecule
2004-01-01 Saito, N; Toffoli, Daniele; Lucchese, R. R.; Nagoshi, M.; De Fanis, A.; Tamenori, Y.; Oura, M.; Yamaoka, H.; Kitajima, M.; Tanaka, H.; Hergenhahn, U.; Ueda, K.
Near threshold photoionization of the ground and first excited states of C 2
2004-01-01 Toffoli, Daniele; Lucchese, Robert R.
Photoelectron trapping in N 2 O 7σ→kσ resonant ionization
2005-01-01 Rathbone, G. J.; Poliakoff, E. D.; Bozek, John D.; Toffoli, Daniele; Lucchese, R. R.
Photoionization Cross Section and angular Distribution Calculations on Carbon Tetrafluoride
2006-01-01 Toffoli, Daniele; Stener, Mauro; Fronzoni, Giovanna; Decleva, Pietro
Photoelectron Angular Distributions Beyond the Dipole Approximation. A Computational Study on the N2 Molecule
2006-01-01 Toffoli, Daniele; Decleva, Pietro
Time Dependent Density Functional investigation of the near-edge absorption spectra of V2O5
2006-01-01 DE FRANCESCO, Renato; Stener, Mauro; M., Causà; Toffoli, Daniele; Fronzoni, Giovanna
Photoabsorption and photoionization dynamics study of silicon tetrafluoride in the framework of time-dependent density-functional theory
2006-01-01 Toffoli, D.; Stener, M.; Decleva, P.
Photoelectron angular distributions beyond the dipole approximation: A computational study on the N2 molecule
2006-01-01 Toffoli, Daniele; Decleva, Pietro
Time Dependent Density Functional study of the photoionization dynamics of SF6
2006-01-01 Stener, Mauro; Toffoli, Daniele; Fronzoni, Giovanna; Decleva, Pietro
Density Functional Theory for the Photoionization Dynamics of Uracil.
2007-01-01 Toffoli, Daniele; Decleva, Pietro; F. A., Gianturco; R. R., Lucchese
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