CNR Institutional Research Information System

SGAMELLOTTI, ANTONIO
 Distribuzione geografica
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Continente #
AS - Asia 146
NA - Nord America 34
EU - Europa 2
Totale 182
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Nazione #
SG - Singapore 135
US - Stati Uniti d'America 34
CN - Cina 11
IT - Italia 2
Totale 182
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Città #
Singapore 92
Santa Clara 11
Guangzhou 6
Forest City 2
Rome 1
Totale 112
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Nome #
Finite-Length Models of Carbon Nanotubes Based on Clar Sextet Theory 4
In Situ Noninvasive Study of Artworks: The MOLAB Multitechnique Approach 4
INOR 65-AgI@SWCNT: Low dimensional nanoaggregates and energy storage 4
Surface enhanced Raman spectroscopic investigation of orchil dyed wool from Roccella tinctoria and Lasallia pustulata 4
Cr(CO)3-Activated Diels-Alder Reaction on Single-Wall Carbon Nanotubes: A DFT Investigation 4
Colouring materials of pre-Columbian codices: non-invasive in situ spectroscopic analysis of the Codex Cospi 3
Electronic properties and stability of graphene nanoribbons: An interpretation based on Clar sextet theory 3
Archaeometric studies at the GILDA beamline at the European synchrotron radiation facility 3
Formation, structure and polymorphism of novel lowest-dimensional AgI nanoaggregates by encapsulation in carbon nanotubes 3
MOLAB (R) meets Persia: Non-invasive study of a sixteenth-century illuminated manuscript 3
Further Insight into Mesoamerican Paint Technology: Unveiling the Colour Palette of the Pre-Columbian Codex Fejervary-Mayer by Means of Non-invasive Analysis 3
Theoretical investigation of the structural and electronic properties of luteolin, apigenin and their deprotonated species 3
Photophysical properties of [Ru(phen)2(dppz)2+ intercalated into DNA: An integrated Car-Parrinello and TDDFT study 3
Multivariate chemical mapping of pigments and binders in easel painting cross-sections by micro IR reflection spectroscopy 3
Acid-base chemistry of luteolin and its methyl-ether derivatives: A DFT and ab initio investigation 3
Further Insight into Mesoamerican Paint Technology: Unveiling the Colour Palette of the Pre-Columbian Codex Fejervary-Mayer by Means of Non-invasive Analysis 3
Shades of blue: non-invasive spectroscopic investigations of Maya blue pigments. From laboratory mock-ups to Mesoamerican codices 3
Micro-Raman spectroscopic study of artificially aged natural and dyed wool 3
Complexation of apigenin and luteolin in weld lake: a DFT/TDDFT investigation 3
Vibrational and electronic properties of painting lakes 3
A DFT investigation of base-catalyzed beta-elimination reactions in water solution for systems activated by the pyridine ring: Theory vs. experiment 3
Time-dependent and coupled-perturbed DFT and HF investigations on the absorption spectrum and non-linear optical properties of push-pull M(II)-porphyrin complexes (M= Zn, Cu, Ni) 3
Things Always Come in Three: Non-Invasive Investigations of Alexander and Roxane's Wedding Room in Villa Farnesina 3
All-electron four-component Dirac-Kohn-Sham procedure for large molecules and clusters containing heavy elements 3
Time-dependent and coupled-perturbed DFT and HF investigations on the absorption spectrum and non-linear optical properties of push-pull M(II)-porphyrin complexes (M = Zn, Cu, Ni) 3
The role of 5-R-1, 10-phenanthroline (R = CH3, NO2) on the emission properties and second-order NLO response of cationic Ir(III) organometallic chromophores 3
The nuclear electric quadrupole moment of gold 2
CO2 entrapment in natural ultramarine blue 2
An indirect approach to the determination of the nuclear quadrupole moment by four-component relativistic DFT in molecular calculations 2
A theoretical approach to molecular batteries: C-C bonds functioning as electron shuttles 2
Computational strategies for a four-component Dirac-Kohn-Sham program: Implementation and first applications 2
Four- and Five-Coordinate CO Insertion in the Copolymerization of Carbon Monoxide and Olefins Catalyzed by Diphosphine Nickel(II) Complexes: A Dynamical Density Functional Study 2
Non-invasive investigation of a pre-Hispanic Maya screenfold book: The Madrid Codex 2
The silicon carbonyls revisited: on the existence of a planar Si(CO)4 2
Atomic Silicon in Siloxanic Networks: The nature of the oxo-oxygen-silicon bond 2
A non-invasive investigation of cyclododecane kinetics in porous matrices by near-infrared spectroscopy and NMR in-depth profilometry 2
A theoretical investigation of the Chalk-Harrod and modified Chalk-Harrod mechanisms involved in hybrid integrated circuit building 2
Monitoring of optimized SERS active gel substrates for painting and paper substrates by unilateral NMR profilometry 2
Parallelization of a relativistic DFT code 2
A dynamic density functional study of the stepwise migratory insertion of isocyanides into zirconium-carbon bonds anchored to a calix[4]arene moiety 2
Bleaching of red lake paints in encaustic mummy portraits 2
An EFISH, theoretical, and PGSE NMR investigation on the relevant role of aggregation on the second order NLO response in CHCl3 of the push-pull [5-[[4'-(dimethylamino)phenyl]ethynyl]-15-[(4"-nitrophenyl)ethynyl]-10,20-diphenylporphyrinate] M(II) (M= Zn, Ni) 2
A density functional study of ethylene rearrangements assisted by tungsten calix[4]arenes 2
Theoretical and experimental investigation on the spectroscopic properties of indigo dye 2
An integrated Computational Tool for the Study of the Optical Properties of Nanoscale Devices: Application to Solar Cells and Molecular Wires 2
Cyclometalated Ir-III Complexes with Substituted 1,10-Phenanthrolines: A New Class of Efficient Cationic Organometallic Second-Order NLO Chromophores 2
Electronic density fitting for the Coloumb problem in relativistic density-functional theory 2
Subtracted shifted Raman spectroscopy of organic dyes and lakes 2
On the Use of Overtone and Combination Bands for the Analysis of the CaSO4-H2O System by Mid-Infrared Reflection Spectroscopy 2
Dynamical Density Functional Study of the Multistep CO Insertion into Zirconium-Carbon Bonds Anchored to a Calix[4]arene Moiety 2
The Perugino's palette: integration of an extended in situ XRF study by Raman spectroscopy 2
Theoretical investigations of the effects of J-aggregation on the linear and nonlinear optical properties of E-4-(4-dimethylaminostyryl)-1-methylpyridinium [DAMS(+)] 2
Acetylene to vinylidene rearrangements on electron rich d6 metal centers: A Density Functional study 2
Functionalization of carbon nanotubes with Vaska's complex: a theoretical approach 1
Electron density fitting for the Coulomb problem in relativistic density-functional theory 1
Oxidative addition of SiH4 to Pt(PH3)2: a dynamical density functional study 1
Phenylium and naphtylium cations in the interstellar medium: a density functional study on their reactivity towards D2 molecules 1
Reactivity of C10H7+ and C10D7+ with H2 and D2 1
Planar tetracoordinated silicon in silicon carbonyl complexes: a DFT approach 1
Theoretical investigations on the functionalization of carbon nanotubes 1
Poisson-transformed density fitting in relativistic four-component Dirac-Kohn-Sham theory 1
Density Functional Study of Tetraphenolate and Calix[4]arene Complexes of Early Transition Metals 1
Computational strategies based on electron density fitting in relativistic density functional theory 1
Density functional study of the dissociative adsorption of aromatic molecules on the Si(100) surface: on the way from benzene to larger polycyclic hydrocarbons 1
Selective functionalization of the Si(100) surface by a bifunctional alkynilamine molecule: a density functional study of the switching adsorption linkage (II) 1
Structural characterization of the glassy phase in majolica glazes by Raman spectroscopy: A comparison between Renaissancesamples and replica processed at different temperatures 1
Density Functional Study of CO Insertion into the Metal-Alkyl Bond in Bis(cyclopentadienyl)-Zr-(CH3)2 1
Computational strategies for a 4-component Dirac-Kohn-Sham program. Implementation and first applications 1
The existence of atomic-like states of silicon in siloxanic networks: A DFT approach 1
Electronic transitions involved in the absorption spectrum and the dual luminescence of the tetranuclear cubane [Cu4I4(pyridine)4] cluster: a DFT/TDDFT investigation 1
Time-dependent DFT investigations of dye-sensitized TiO2 nanoparticles 1
An indirect approach to the determination of the nuclear quadrupole moment by 4-component relativistic DFT in molecular calculations 1
Ab initio molecular dynamics simulations of organometallic reactivity 1
Role of defects on the gas sensing properties of carbon nanotubes thin films: experiment and theory 1
A DFT investigation of base-catalyzed ?-elimination reactions in water solution for systems activated by the pyridine ring: Theory vs. experiment 1
Intramolecular coupling of eta2-Iminoacyls on Zr-di-aryloxides and -calix[4]arenes: A revised mechanism by DFT calculations and Car-Parrinello molecular dynamics simulations 1
Reactions of N+ ions with ethylene. A theoretical study on the addition mechanism into the olefin double bond 1
The combined use of leadetin yellow type I and II on a canvas painting by Pietro Perugino 1
Photophysical properties of [Ru(phen)2(dppz)]2+ intercalated into DNA: A theoretical study 1
Parallelization of relativistic DFT 1
Identification of nineteenth century blue and green pigments by in situ x-ray fluorescence and micro-Raman spectroscopy 1
Coordination and haptotropic rearrangement of Cr(CO)3 on (n,0) nanotube sidewalls: a dynamical density functional study 1
Density Functional Study of the Reppe Carbonylation of Acetylene 1
The Electronic Structure of Alkali Aurides. A Four-Component Dirac-Kohn-Sham Study 1
Theoretical investigations on the functionalization of carbon nanotubes 1
Efficiency and resistance of the artificial oxalate protection treatment on marble against chemical weathering 1
Noninvasive nuclear magnetic resonance profiling of painting layers 1
Density Functional Study of CO Insertion into the Metal-Alkyl Bond in Bis(cyclopentadienyl)-Zr-(CH3)2 1
The Role of Substituents on Functionalized 1,10-Phenanthroline in Controlling the Emission Properties of Cationic Iridium(III) Complexes of Interest for Electroluminescent Devices 1
Vacancy-induced chemisorption of NO2 on carbon nanotubes: A combined theoretical and experimental study 1
Durability of the artificial calcium oxalate protective on two Florentine monuments 1
A dynamical density functional study of CO insertion into the metal-alkyl bond in Ti(Cp)2(CH3)2 1
Dynamical Density Functional Study of Acetylene to Vinylidene Isomerization in (Cp)(CO)2Mn(HCCH) 1
A dynamical density functional study of CO migration in the Reppe carbonylation 1
A plane wave implementation of the polarizable continuum model 1
Cyclometallated iridium(III) complexes with susbtituted 1,10-phenanthrolines as a new class transparent highly NLO-active organometallic second-order NLO-phores with excellent transparency with respect to second harmonic emission 1
Full Quantum Mechanical Investigation of the Unimolecular versus Bimolecular Acetylene to Vinylidene Rearrangement in the Prototype trans-Cl-Rh(Pi-Pr3)2 Complex 1
Reactions of N+ ions with benzene: a theoretical study on the C6NH6+ potential energy surface 1
Totale 182
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Categoria #
all - tutte 1.504
article - articoli 1.491
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 2.995
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2023/202411 0 0 0 0 0 0 0 0 0 0 9 2
2024/2025171 5 5 111 49 1 0 0 0 0 0 0 0
Totale 182