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51

Theoretical study of the correlation effects in the photoelectron spectrum of bis(π-allyl)nickel

P. Decleva, G. Fronzoni, A. Lisini

Journal:

Chemical Physics

Year:

1989

Language:

english

File:

PDF, 875 KB

english, 1989

52

Many-body calculations of the core hole spectra of NiCO

M. Ohno, P. Decleva

Journal:

Chemical Physics

Year:

1991

Language:

english

File:

PDF, 1.25 MB

english, 1991

53

Many-body calculation of the XPS core hole spectra of NiN2

P. Decleva, M. Ohno

Journal:

Chemical Physics

Year:

1992

Language:

english

File:

PDF, 1.04 MB

english, 1992

54

Variational approach to continuum orbitals in a spline basis: An application to H2+ photoionization

M. Brosolo, P. Decleva

Journal:

Chemical Physics

Year:

1992

Language:

english

File:

PDF, 1.10 MB

english, 1992

55

2p excitation spectra of transition metal compounds as a probe of local electronic structure: A theoretical determination

P. Decleva, G. Fronzoni, A. Lisini

Journal:

Chemical Physics

Year:

1992

Language:

english

File:

PDF, 873 KB

english, 1992

56

Many-body calculation of the core hole spectrum of PdN2

P. Decleva, M. Ohno

Journal:

Chemical Physics

Year:

1992

Language:

english

File:

PDF, 920 KB

english, 1992

57

Ab initio CI calculation of K shell absorption spectra in transition metal compounds

G. Fronzoni, P. Decleva, A. Lisini

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.50 MB

english, 1993

58

On the core hole screening mechanism in adsorbates in the absence of low lying π acceptor orbitals

M. Ohno, P. Decleva

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1018 KB

english, 1993

59

Ab initio calculations of the core ionization spectra of unsaturated hydrocarbons

A. Baldovin, G. De Alti, P. Decleva, G. Fronzoni, A. Lisini

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.24 MB

english, 1993

60

Cooperative core hole screening mechanism in adsorbates: its hindrance in the NEXAFS spectra of the CO/Ni and N2/Ni systems

M. Ohno, P. Decleva

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.38 MB

english, 1993

61

Quasidegenerate perturbation theory applied to the calculation of excitation spectra

A. Lisini, P. Decleva, G. Fronzoni

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.03 MB

english, 1993

62

Molecular orbital description of core excitation spectra in transition metal compounds. An ab initio CI calcultaion on TiCl4 and isoelectronic molecules

P. Decleva, G. Fronzoni, A. Lisini, M. Stener

Journal:

Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.55 MB

english, 1994

63

LCAO expansion in a spline basis for accurate variational determination of continuum wavefunctions. Applications to H+2 and HeH2+

M. Brosolo, P. Decleva, A. Lisini

Journal:

Chemical Physics

Year:

1994

Language:

english

File:

PDF, 945 KB

english, 1994

64

Correlation effects in core and valence photoelectron spectra of alkene molecules

G. Fronzoni, G. De Alti, P. Decleva, A. Lisini

Journal:

Chemical Physics

Year:

1995

Language:

english

File:

PDF, 1.32 MB

english, 1995

65

Empty levels in germanium compounds studied by XAS, ISEELS, ETS, DEAS and ab initio calculations: GeH4, GeCl4 and Ge(CH3)3Cl

Florence Guillot, Christine Dézarnaud-Dandine, Michel Tronc, Alberto Modelli, Adriana Lisini, Piero Decleva, Giovanna Fronzoni

Journal:

Chemical Physics

Year:

1996

Language:

english

File:

PDF, 2.10 MB

english, 1996

66

Ionized states of fluoromethanes computed by the SCF-MS-Xα method

Giancarlo De Alti, Piero Decleva, Antonio Sgamellotti

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

1977

Language:

english

File:

PDF, 609 KB

english, 1977

67

CI calculations of the inner and outer valence photoelectron spectra of the fourth row hydrides

G. Fronzoni, G. De Alti, P. Decleva, A. Lisini

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

1992

Language:

english

File:

PDF, 1.19 MB

english, 1992

68

2p→3d Excitations in transition metal compounds. A computational investigation on Fe(CO)5, Fe(C5H5)2 and Cr(CO)6

G. Fronzoni, P. Decleva, A. Lisini, M. Ohno

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

1993

Language:

english

File:

PDF, 1.34 MB

english, 1993

69

Ab initio CI investigation of valence photoelectron spectra of conjugated hydrocarbons

G. Fronzoni, P. Decleva, A. Lisini, G. De Alti

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

1994

Language:

english

File:

PDF, 1.52 MB

english, 1994

70

LCAO density functional calculations of core binding energy shifts of large molecules

M. Stener, A. Lisini, P. Decleva

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

1994

Language:

english

File:

PDF, 982 KB

english, 1994

71

Molecular photoionization cross sections by the local density LCAO Stieltjes imaging approach

M. Stener, P. Decleva, A. Lisini

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

1995

Language:

english

File:

PDF, 961 KB

english, 1995

72

Inner-shell d excitation in gas phase heavy-metal halides by synchrotron radiation photoemission and ab initio CI calculations

S. Stranges, M. de Simone, M.Y. Adam, P. Decleva, A. Lisini, C. Cauletti, M.N. Piancastelli, C. Furlani

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

1995

Language:

english

File:

PDF, 356 KB

english, 1995

73

Photoelectron spectroscopy of sulfur L levels in the SF5CF3 molecule

A. Kivimäki, J. Álvarez Ruiz, M. Coreno, M. Stankiewicz, G. Fronzoni, P. Decleva

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 440 KB

english, 2008

74

Valence and core photoionization dynamics of acetylene by TD-DFT continuum approach

G Fronzoni, M Stener, P Decleva

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 634 KB

english, 2004

75

Time Dependent Density Functional Theory description of giant resonances in transition metal complexes: The photoionization dynamics of Cr(CO)6

M. Stener, G. Fronzoni, P. Decleva

Journal:

Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.52 MB

english, 2009

76

Fluorine K-shell photoelectron angular distribution from CF4 molecules in the molecular frame

H. Fukuzawa, X.-J. Liu, T. Teranishi, K. Sakai, G. Prümper, K. Ueda, Y. Morishita, N. Saito, M. Stener, P. Decleva

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 264 KB

english, 2008

77

Partial photoionization cross sections of C60 and C70: A gas versus adsorbed phase comparison

S. Korica, A. Reinköster, M. Braune, J. Viefhaus, D. Rolles, B. Langer, G. Fronzoni, D. Toffoli, M. Stener, P. Decleva, O.M. Al-Dossary, U. Becker

Journal:

Surface Science

Year:

2010

Language:

english

File:

PDF, 1007 KB

english, 2010

78

High energy oscillations in the valence photoionization partial cross-section of C60

P Decleva, S Furlan, G Fronzoni, M Stener

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 93 KB

english, 2001

79

Time dependent density functional study of the symmetry resolved N 1s photoionization in N2

M. Stener, G. Fronzoni, P. Decleva

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 111 KB

english, 2002

80

Photoionization of M@C60 (M=Li, Na, K) by large-scale one-centre density functional explicit continuum wave-function

M Stener, G Fronzoni, M Venuti, P Decleva

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 148 KB

english, 1999

81

Least squares B-spline solutions of the radial Dirac equation in the continuum

D. Toffoli, P. Decleva

Journal:

Computer Physics Communications

Year:

2003

Language:

english

File:

PDF, 136 KB

english, 2003

82

Response function study of CO photoionization: ab initio SCF and density functional results

M. Stener, P. Decleva, I. Cacelli, R. Moccia, R. Montuoro

Journal:

Chemical Physics

Year:

2001

Language:

english

File:

PDF, 251 KB

english, 2001

83

Theoretical study of the photoionization shape resonances of cobaltocene and nickelocene

G Fronzoni, M Stener, S Furlan, P Decleva

Journal:

Chemical Physics

Year:

2001

Language:

english

File:

PDF, 390 KB

english, 2001

84

Convergence of the multicenter B-spline DFT approach for the continuum

D Toffoli, M Stener, G Fronzoni, P Decleva

Journal:

Chemical Physics

Year:

2002

Language:

english

File:

PDF, 327 KB

english, 2002

85

Time dependent density functional photoionization of CH4, NH3, H2O and HF

M. Stener, G. Fronzoni, D. Toffoli, P. Decleva

Journal:

Chemical Physics

Year:

2002

Language:

english

File:

PDF, 462 KB

english, 2002

86

An MS-Xα study of the photoelectron spectra and bonding in the fluorosilanes

Giancarlo De Alti, Piero Decleva, Antonio Sgamellotti

Journal:

Chemical Physics

Year:

1978

Language:

english

File:

PDF, 806 KB

english, 1978

87

TDLDA calculations of photoionization cross-section and asymmetry parameter profiles of alkaline-earth atoms

M. Stener, G. De Alti, G. Fronzoni, P. Decleva

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 984 KB

english, 1997

88

Valence photoionization of C6H6 by the B-spline one-centre expansion density functional method

M. Venuti, M. Stener, P. Decleva

Journal:

Chemical Physics

Year:

1998

Language:

english

File:

PDF, 294 KB

english, 1998

89

Ab-initio CI calculations of the C1s and Cl1s and 2p core excitation spectra of the freon molecules: CCl4, CFCl3, CF2Cl2 and CF3Cl

G. Fronzoni, P. Decleva

Journal:

Chemical Physics

Year:

1998

Language:

english

File:

PDF, 337 KB

english, 1998

90

Theoretical description of the NEXAFS Cl 1s and 2p spectra of ClF and ClF3

G. Fronzoni, M. Stener, P. Decleva

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 323 KB

english, 1999

91

Photoionization of first and second row hydrides by the B-spline one-centre expansion density functional method

M Stener, P Decleva

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

1998

Language:

english

File:

PDF, 416 KB

english, 1998

92

Photoionization of CH4, SiH4, BH3 and AlH3 by the B-spline one-centre expansion density functional method

M Stener, P Decleva

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

1999

Language:

english

File:

PDF, 251 KB

english, 1999

93

Simultaneous onset of primary cutaneous B-cell lymphoma and human herpesvirus 8-associated Kaposi's sarcoma

E. BERTI, A.V MARZANO, I. DECLEVA, G. BESTETTI, M. PIZZUTO, L. POIREL, M. CAPRA, C. PARRAVICINI, M. CORBELLINO

Journal:

British Journal of Dermatology

Year:

1997

Language:

english

File:

PDF, 1.74 MB

english, 1997

94

Theoretical study of many-body effects in the photoelectron spectra of unsaturated hydrocarbons

A. Lisini, G. Fronzoni, P. Decleva

Journal:

International Journal of Quantum Chemistry

Year:

1994

Language:

english

File:

PDF, 904 KB

english, 1994

95

Continuum wave functions by least-squares scheme in a B-spline basis: Multicenter and multielectron formulations

P. Decleva, M. Brosolo, A. Lisini, M. Venuti

Journal:

International Journal of Quantum Chemistry

Year:

1994

Language:

english

File:

PDF, 405 KB

english, 1994

96

Calculation of excitation and photoionization spectra by quasi-degenerate perturbation theory

Adriana Lisini, Piero Decleva

Journal:

International Journal of Quantum Chemistry

Year:

1994

Language:

english

File:

PDF, 712 KB

english, 1994

97

Accurate local density photoionization cross sections by LCAO Stieltjes imaging approach

M. Stener, A. Lisini, P. Decleva

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 1.15 MB

english, 1995

98

Accurate CI expansion in a spline basis of the helium ground-state wave function

Piero Decleva, Adriana Lisini, Marco Venuti

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 1.30 MB

english, 1995

99

The QDPT CI approach for excitation and ionization spectra: A test on the CO molecule

A. Lisini, P. Decleva

Journal:

International Journal of Quantum Chemistry

Year:

1995

Language:

english

File:

PDF, 652 KB

english, 1995

100

An analysis of the partition of the molecular space in the SCF-MS-Xα method: Calculations of the valence ionization potentials of SiH3F and SiH2F2

Giancarlo Alti, Piero Decleva, Antonio Sgamellotti

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1978

Language:

english

File:

PDF, 237 KB

english, 1978

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