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Results: 1-22 |
Results: 22

Authors: Iengo, E Zangrando, E Mestroni, S Fronzoni, G Stener, M Alessio, E
Citation: E. Iengo et al., Complexed bridging ligands: oxorhenium(V) compounds with mono-coordinated pyrazine or pyrimidine as possible building blocks for the construction of polynuclear architectures, J CHEM S DA, (8), 2001, pp. 1338-1346

Authors: Colavita, P De Alti, G Fronzoni, G Stener, M Decleva, P
Citation: P. Colavita et al., Theoretical study of the valence and core photoemission spectra of C-60, PHYS CHEM P, 3(20), 2001, pp. 4481-4487

Authors: Stener, M Furlan, S Decleva, P
Citation: M. Stener et al., Density functional calculations of valence and core photoionization of C6H6 with an exchange-correlation potential with the correct asymptotic behaviour, PHYS CHEM P, 3(1), 2001, pp. 19-28

Authors: Fronzoni, G Colavita, P Stener, M De Alti, G Decleva, P
Citation: G. Fronzoni et al., Theoretical study of photoionization processes in Fe(C5H5)(2), J PHYS CH A, 105(42), 2001, pp. 9800-9812

Authors: Fronzoni, G Stener, M Furlan, S Decleva, P
Citation: G. Fronzoni et al., Theoretical study of the photoionization shape resonances of cobaltocene and nickelocene, CHEM PHYS, 273(2-3), 2001, pp. 117-133

Authors: Stener, M Decleva, P Cacelli, I Moccia, R Montuoro, R
Citation: M. Stener et al., Response function study of CO photoionization: ab initio SCF and density functional results, CHEM PHYS, 272(1), 2001, pp. 15-25

Authors: Stener, M Decleva, P Gorling, A
Citation: M. Stener et al., The role of exchange and correlation in time-dependent density-functional theory for photoionization, J CHEM PHYS, 114(18), 2001, pp. 7816-7829

Authors: Kruger, S Stener, M Rosch, N
Citation: S. Kruger et al., Relativistic density functional study of gold coated magnetic nickel clusters, J CHEM PHYS, 114(12), 2001, pp. 5207-5215

Authors: Stener, M Fronzoni, G Furlan, S Decleva, P
Citation: M. Stener et al., Photoionization of [(eta-C6H6)(2)Cr] with the explicit continuum B-spline density-functional method, J CHEM PHYS, 114(1), 2001, pp. 306-319

Authors: Decleva, P Furlan, S Fronzoni, G Stener, M
Citation: P. Decleva et al., High energy oscillations in the valence photoionization partial cross-section of C-60, CHEM P LETT, 348(5-6), 2001, pp. 363-367

Authors: Stener, M Furlan, S Decleva, P
Citation: M. Stener et al., Density functional calculations of photoionization with an exchange-correlation potential with the correct asymptotic behaviour, J PHYS B, 33(5), 2000, pp. 1081-1102

Authors: Kruger, S Stener, M Mayer, M Nortemann, F Rosch, N
Citation: S. Kruger et al., Gold-thiolate complexes: a density functional study of geometry and electronic structure, J MOL ST-TH, 527, 2000, pp. 63-74

Authors: Stener, M Calligaris, M
Citation: M. Stener et M. Calligaris, Density functional study of structural properties and binding energies of dimethylsulfoxide Ru(II) complexes, J MOL ST-TH, 497, 2000, pp. 91-104

Authors: Stener, M Decleva, P
Citation: M. Stener et P. Decleva, Time-dependent density functional calculations of molecular photoionization cross sections: N-2 and PH3, J CHEM PHYS, 112(24), 2000, pp. 10871-10879

Authors: Fronzoni, G Stener, M Decleva, P
Citation: G. Fronzoni et al., Theoretical study of the excited and continuum states in the NEXAFS regions of Cl-2, PCCP PHYS C, 1(7), 1999, pp. 1405-1414

Authors: Stener, M De Alti, G Decleva, P
Citation: M. Stener et al., Convergence of the density functional one-centre expansion for the molecular continuum: N-2 and (CH3)(3)N, THEOR CH AC, 101(4), 1999, pp. 247-256

Authors: Decleva, P De Alti, G Fronzoni, G Stener, M
Citation: P. Decleva et al., Theoretical study of resonances in the metal core photoionization of M @ C-60 (M = Li, Na, K), J PHYS B, 32(18), 1999, pp. 4523-4534

Authors: Stener, M Decleva, P
Citation: M. Stener et P. Decleva, Photoionization of CH4, SiH4, BH3 and AlH3 by the B-spline one-centre expansion density functional method, J ELEC SPEC, 104(1-3), 1999, pp. 135-144

Authors: Fronzoni, G Stener, M Decleva, P
Citation: G. Fronzoni et al., Theoretical description of the NEXAFS Cl 1s and 2p spectra of ClF and ClF3, CHEM PHYS, 246(1-3), 1999, pp. 127-145

Authors: Venuti, M Stener, M De Alti, G Decleva, P
Citation: M. Venuti et al., Photoionization of C-60 by large scale one-center density functional explicit continuum wave-function, J CHEM PHYS, 111(10), 1999, pp. 4589-4597

Authors: Stener, M Albert, K Rosch, N
Citation: M. Stener et al., Relativistic density functional study on the bimetallic cluster [Pt3Fe3(CO)(15)](n-) (n = 0, 1, 2), INORG CHIM, 286(1), 1999, pp. 30-36

Authors: Stener, M Fronzoni, G Venuti, M Decleva, P
Citation: M. Stener et al., Photoionization of M@C-60 (M = Li, Na, K) by large-scale one-centre density functional explicit continuum wave-function, CHEM P LETT, 309(1-2), 1999, pp. 129-135
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