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First-principles investigations on the functionalization of chiral and non-chiral carbon nanotubes by Diels-Alder cycloaddition reactions!MERCURI, Francesco; SGAMELLOTTI, Antonio.PCCP. Physical chemistry chemical physics (Print). 2009, Vol 11, Num 3, pp 563-567, issn 1463-9076, 5 p.Article

AN LCAO-MO-SCF INVESTIGATION ON NICKEL(II) DITHIOCOMPLEXES CONTAINING THE (NIS4) CHROMOPHORE.CIULLO G; SGAMELLOTTI A.1976; Z. PHYS. CHEM., NEUE FOLGE, WIESBADEN; DTSCH.; DA. 1976; VOL. 100; NO 1-2; PP. 67-82; ABS. ALLEM.; BIBL. DISSEM.Article

A density functional investigation on d0-Zr(IV) organometallic fragmentsBELANZONI, Paola; ROSI, Marzio; SGAMELLOTTI, Antonio et al.Chemical physics letters. 2001, Vol 344, Num 5-6, pp 536-542, issn 0009-2614Article

A THEORETICAL INVESTIGATION OF SINGLE ORBITAL RELAXATION ENERGY CONTRIBUTIONS ACCOMPANYING CORE IONIZATION OF N2.CLARK DT; CROMARTY BJ; SGAMELLOTTI et al.1978; J. ELECTRON SPECTROSC. RELAT. PHENOMENA; NLD; DA. 1978; VOL. 14; NO 1; PP. 49-58; BIBL. 10 REF.Article

Interaction between iron(0) and formaldehyde, thioformaldehyde, and acetone: ab initio calculations on the model compounds Fe(CO)2(PH3)2(η2-CH2O), Fe(CO)2(PH3)2(η2-CH2S), Fe(PH3)4(η2-CH2O), and Fe(PH3)4(η2-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

Interaction between iron(0) and heterocumulenes: ab initio calculations on the model compounds Fe(CO)2(PH3)2(η2-OCX) and Fe(CO)2(PH3)2(η2-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

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)2(η2-CO2), Fe(CO)2(PH3)2(η2-COS), Fe(CO)2(PH3)2(η2-CS2), and Fe(PH3)4(η2-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

MIXED-VALENCE EFFECTS IN TELLURIUM-MOLYBDENUM OXIDESBART JCJ; CARIATI F; SGAMELLOTTI A et al.1979; INORG. CHIM. ACTA; ITA; DA. 1979; VOL. 36; NO 1; PP. 105-112; BIBL. 38 REF.Article

BINDING ENERGIES OF CH3F AND CH2F2 CALCULATED BY THE OVERLAPPING SPHERE SCF MS X2 METHOD.DE ALTI G; DECLEVA P; SGAMELLOTTI A et al.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 50; NO 3; PP. 476-478; BIBL. 18 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

IONIZED STATES OF FLUOROMETHANES COMPUTED BY THE SCF-MS-XALPHA METHOD.DA ALTI G; DECLEVA P; SGAMELLOTTI A et al.1977; J. ELECTRON SPECTROSC. RELAT. PHENOMENA; NETHERL.; DA. 1977; VOL. 12; NO 3; PP. 249-257; BIBL. 21 REF.Article

SPECTROSCOPIC ANALYSIS OF MIXED VALENCE MOLYBDENUM OXIDESCARIATI F; BART JCJ; SGAMELLOTTI A et al.1981; INORG. CHIM. ACTA; ISSN 0020-1693; ITA; DA. 1981; VOL. 48; NO 1; PP. 97-103; BIBL. 26 REF.Article

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

SINGLE ORBITAL RELAXATION ENERGIES ACCOMPANYING CORE IONIZATION IN FIRST ROW ATOMS AND AN INVESTIGATION OF THE BASIS SET DEPENDENCE OF COMPUTED SINGLE ORBITAL RELAXATION ENERGIES FOR COCLARK DT; CROMARTY BJ; SGAMELLOTTI A et al.1979; J. ELECTRON. SPECTROSC. RELAT. PHENOMENA; NLD; DA. 1979; VOL. 17; NO 3; PP. 149-156; BIBL. 19 REF.Article

A THEORETICAL INVESTIGATION OF THE ELECTRIC FIELD DEPENDENCE OF CORE IONIZATION PHENOMENA IN CARBON MONOXIDE.CLARK DT; CROMARTY BJ; SGAMELLOTTI A et al.1977; CHEM. PHYS.; NETHERL.; DA. 1977; VOL. 26; NO 2; PP. 179-190; BIBL. 24 REF.Article

Non-invasive identification of surface materials on marble artifacts with fiber optic mid-FTIR reflectance spectroscopyRICCI, Camilla; MILIANI, Costanza; BRUNETTI, Bmnetto G et al.Talanta (Oxford). 2006, Vol 69, Num 5, pp 1221-1226, issn 0039-9140, 6 p.Article

Theoretical simulation of molecular Auger spectra : the carbon and oxygen KLL Auger spectra of formaldehydeMINELLI, D; TARANTELLI, F; SGAMELLOTTI, A et al.The Journal of chemical physics. 1993, Vol 99, Num 9, pp 6688-6696, issn 0021-9606Article

Ab initio calculations of the Cu2+-O2- interaction as a model for the mechanism of copper/zinc superoxide dismutaseROSI, M; SGAMELLOTTI, A; TARANTELLI, F et al.Inorganic chemistry (Print). 1986, Vol 25, Num 7, pp 1005-1008, issn 0020-1669Article

Photophysical properties of [Ru(phen)2(dppz)]2+ intercalated into DNA : An integrated car-parrinello and TDDFT studyFANTACCI, Simona; DE ANGELIS, Filippo; SGAMELLOTTI, Antonio et al.Journal of the American Chemical Society. 2005, Vol 127, Num 41, pp 14144-14145, issn 0002-7863, 2 p.Article

CONFORMATIONAL STUDIES ON 1,1-BIS(METHYLTHIO)ETHYLENEDE ALTI G; DECLEVA P; SGAMELLOTTI A et al.1979; J. MOLEC. STRUCT.; NLD; DA. 1979; VOL. 53; NO 1; PP. 129-138; BIBL. 12 REF.Article

THE DELTA SCF FORMALISM IN THE XALPHA METHOD: AN APPLICATION TO THE FLUORO-METHANESDE ALTI G; DECLEVA P; SGAMELLOTTI A et al.1978; CHEM. PHYS. LETTERS; NLD; DA. 1978; VOL. 59; NO 1; PP. 133-135; BIBL. 11 REF.Article

A THEORETICAL INVESTIGATION OF THE GROUND AND CORE HOLE STATES OF LINEAR AND BENT NICO; A PROTOTYPE FOR CO ADSORBED ON NICKEL.CLARK DT; CROMARTY BJ; SGAMELLOTTI A et al.1978; CHEM. PHYS. LETTERS; NETHERL.; DA. 1978; VOL. 55; NO 3; PP. 482-487; BIBL. 24 REF.Article

AN MS-XALPHA STUDY OF THE PHOTOELECTRON SPECTRA AND BONDING IN THE FLUOROSILANESDE ALTI G; DECLEVA P; SGAMELLOTTI A et al.1978; CHEM. PHYS.; NLD; DA. 1978; VOL. 35; NO 3; PP. 283-292; BIBL. 32 REF.Article

TWO-CENTRE COULOMB INTERACTIONS IN SEMIEMPIRICAL LCAO-SCF METHODSCIULLO G; SEMPRINI E; SGAMELLOTTI A et al.1972; GAZZ. CHIM. ITAL.; ITAL.; DA. 1972; VOL. 102; NO 11; PP. 994-999; ABS. ITAL.; BIBL. 17 REF.Serial Issue

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