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A THEORETICAL INVESTIGATION OF THE GROUND AND CORE HOLE STATES OF (CU(NH3)2CO)+ AND (CU(NH3)3CO)+. MODELS FOR THE REVERSIBLE BINDING OF CO TO CU(I) COMPLEXESCLARK DT; SGAMELLOTTI A; TARANTELLI F et al.1981; INORG. CHEM.; ISSN 0020-1669; USA; DA. 1981; VOL. 20; NO 8; PP. 2602-2607; BIBL. 24 REF.Article

A NON-EMPIRICAL LCAO MO SCF INVESTIGATION OF THE GROUND AND CORE HOLE STATES OF SOME SIMPLE AH2 SYSTEMSCLARK DT; SGAMELLOTTI A; TARANTELLI F et al.1980; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1980; VOL. 52; NO 1-2; PP. 1-9; BIBL. 33 REF.Article

Foreign imaging in Auger spectroscopy : the Si 2p spectrum of silicon tetrafluorideTARANTELLI, F; CEDERBAUM, L. S.Physical review letters. 1993, Vol 71, Num 4, pp 649-652, issn 0031-9007Article

A CI INVESTIGATION ON THE CORE IONIZED AND CORE-RYDBERG EXCITED STATES OF NH2CAMBI R; CIULLO G; SGAMELLOTTI A et al.1982; CHEMICAL PHYSICS LETTERS; ISSN 0009-2614; NLD; DA. 1982; VOL. 91; NO 3; PP. 178-184; BIBL. 30 REF.Article

A CI INVESTIGATION ON THE IONIZED STATES OF BEH2CAMBI R; CIULLO G; SGAMELLOTTI A et al.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 83; NO 2; PP. 320-323; BIBL. 11 REF.Article

On the choice of orbital bases for configuration interactionTARANTELLI, F; CEDERBAUM, L. S.The Journal of chemical physics. 1988, Vol 89, Num 7, pp 4170-4179, issn 0021-9606Article

A CI INVESTIGATION OF THE CORE IONIZED STATES DERIVED FROM 1A1 AND 3B1 METHYLENECLARK DT; GUEST MF; SGAMELLOTTI A et al.1980; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1980; VOL. 52; NO 1-2; PP. 11-21; BIBL. 26 REF.Article

Nuclear dynamics of decaying states : a time-dependent formulationCEDERBAUM, L. S; TARANTELLI, F.The Journal of chemical physics. 1993, Vol 98, Num 12, pp 9691-9706, issn 0021-9606Article

Nuclear dynamics of several decaying overlapping electronic states : a time-dependent formulationCEDERBAUM, L. S; TARANTELLI, F.The Journal of chemical physics. 1993, Vol 99, Num 8, pp 5871-5884, issn 0021-9606Article

Many dicationic states and two-hole population analysis as a bridge to Auger spectra : strong localization phenomena in BF3TARANTELLI, F; SGAMELLOTTI, A; CEDERBAUM, L. S et al.The Journal of chemical physics. 1991, Vol 94, Num 1, pp 523-532, issn 0021-9606, 10 p.Article

Non-analyticity of self-consistent field approaches : failure of predicting symmetryCEDERBAUM, L. S; TARANTELLI, F; WINKLER, P et al.Journal of physics. B. Atomic, molecular and optical physics (Print). 1990, Vol 23, Num 22, pp L747-L752, issn 0953-4075Article

Study of relative stabilities of the intermediates in catalytic carbon monoxide hydrogenation reactions: ab initio calculations on the model compounds [Fe(CO)2(PH3)2H2], [Fe(CO)2(PH3)2(CHO)H], [Fe(CO)2(PH3)2(CH2O)], and [Fe(CO)(PH3)2(CHO)2]ROSI, M; SGAMELLOTTI, A; TARANTELLI, F et al.Journal of the Chemical Society. Dalton transactions. 1988, Num 1, pp 249-252, issn 0300-9246Article

IONIZATION OF FLUOROMETHANES: CHF3 AND CF4. A GREEN'S FUNCTION STUDY AND AN (E,2E) SPECTROSCOPIC INVESTIGATIONCAMBI R; CIULLO G; SGAMELLOTTI A et al.1982; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1982; VOL. 90; NO 6; PP. 445-452; BIBL. 16 REF.Article

Bonding between C2 and N2 : a localization-induced σ bondSCHELLER, M. K; CEDERBAUM, L. S; TARANTELLI, F et al.Journal of the American Chemical Society. 1990, Vol 112, Num 26, pp 9484-9490, issn 0002-7863, 7 p.Article

Valence ionization and the electron affinities of the open and cyclic forms of Se3 and Te3VON NIESSEN, W; CEDERBAUM, L. S; TARANTELLI, F et al.The Journal of chemical physics. 1989, Vol 91, Num 6, pp 3582-3588, issn 0021-9606, 7 p.Article

Theoretical study of K-shell excitations in formaldehydeSCHIRMER, J; BARTH, A; TARANTELLI, F et al.Chemical physics. 1988, Vol 122, Num 1, pp 9-15, issn 0301-0104Article

Interaction between iron(0) and heterocumulenes: ab initio calculations on the model compounds Fe(CO)2(PH3)22-OCX) and Fe(CO)2(PH3)22-SCX), with X=0, S, NH, CH2ROSI, M; SGAMELLOTTI, A; TARANTELLI, F et al.Inorganic chemistry (Print). 1987, Vol 26, Num 22, pp 3805-3811, issn 0020-1669Article

Many-body calculation of the valence photoemission spectrum of Cr(CO)6OHNO, M; VON NIESSEN, W; TARANTELLI, F et al.Physical review. B, Condensed matter. 1992, Vol 45, Num 4, pp 1851-1856, issn 0163-1829Article

Symmetry breaking and symmetry restoring in ions of loosely bound systemsTARANTELLI, F; CEDERBAUM, L. S; CAMPOS, P et al.The Journal of chemical physics. 1989, Vol 91, Num 11, pp 7039-7047, issn 0021-9606Article

AN (E,2E) SPECTROSCOPIC INVESTIGATION AND A GREEN'S FUNCTION STUDY OF THE IONIZATION OF FLUOROETHYLENEFANTONI R; GIARDINI GUIDONI A; TIRIBELLI R et al.1982; MOL. PHYS.; ISSN 0026-8976; GBR; DA. 1982; VOL. 45; NO 4; PP. 839-852; BIBL. 28 REF.Article

Interaction between iron(0) and formaldehyde, thioformaldehyde, and acetone: ab initio calculations on the model compounds Fe(CO)2(PH3)22-CH2O), Fe(CO)2(PH3)22-CH2S), Fe(PH3)42-CH2O), and Fe(PH3)42-CMe2O)ROSI, M; SGAMELLOTTI, A; TARANTELLI, F et al.Inorganic chemistry (Print). 1988, Vol 27, Num 1, pp 69-73, issn 0020-1669Article

Study of the interaction between iron(0) and dinitrogen: ab initio.8` calculations on the model compound Fe(PH3)4(N2)ROSI, M; SGAMELLOTTI, A; TARANTELLI, F et al.Journal of organometallic chemistry. 1988, Vol 348, Num 2, pp C27-C32, issn 0022-328XArticle

Non-Hartree-Fock mean fields for molecules: critical testsSAWATZKI, R; CEDERBAUM, L. S; TARANTELLI, F et al.Journal of physics. B. Atomic and molecular physics. 1987, Vol 20, Num 20, pp 5259-5265, issn 0022-3700Article

Study of the interaction between iron(0) and carbon dioxide, carbonyl sulphide and carbon disulphide: ab initio calculations on the model compounds Fe(CO)2(PH3)22-CO2), Fe(CO)2(PH3)22-COS), Fe(CO)2(PH3)22-CS2), and Fe(PH3)42-CO2)ROSI, M; SGAMELLOTTI, A; TARANTELLI, F et al.Journal of organometallic chemistry. 1987, Vol 332, Num 1-2, pp 153-164, issn 0022-328XArticle

Orbital coupling in double-vacancy and two-electron systemsOHRENDORF, E. M.-L; TARANTELLI, F; CEDERBAUM, L. S et al.Chemical physics letters. 1991, Vol 183, Num 1-2, pp 1-8, issn 0009-2614Article

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