IRIS
LOMBARDO, Giuseppe Marcello
 Distribuzione geografica
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Continente #
EU - Europa 27
Totale 27
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Nazione #
IT - Italia 27
Totale 27
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Città #
Catania 15
Vittoria 11
Totale 26
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Nome #
A combined experimental and in silico characterization to highlight additional structural features and properties of a potentially new drug, file dfe4d22b-ee04-bb0a-e053-d805fe0a78d9 3
Modeling vacancies and hydrogen impurities in graphene: A molecular point of view, file dfe4d226-f8e5-bb0a-e053-d805fe0a78d9 2
Functional hybrid co-crystals of humic substances: a growth forecast, file dfe4d227-014e-bb0a-e053-d805fe0a78d9 2
Thermal effects on mixed metal (Zn/Al) layered double hydroxides: Direct modeling of the X-ray powder diffraction line shape through molecular dynamics simulations, file dfe4d227-12f1-bb0a-e053-d805fe0a78d9 2
Fingerprints of antiaromaticity in the negative ion Li3Al4- with anab initio quantum chemical study of the equilibrium structure of the inhomogeneous electron liquid, file dfe4d227-471b-bb0a-e053-d805fe0a78d9 2
A Potentially Alternative Route to Predict Crystal Morphologies of Indicaxanthin Crystals, file 1306e8f2-2ed8-4039-8676-40a5a281ab0c 1
Stretched chemical bonds in Si6H6: a transition from ring currents to localized pi-electrons?, file dfe4d226-f711-bb0a-e053-d805fe0a78d9 1
Experimental and in silico characterization of a biologically active inosose, file dfe4d227-0211-bb0a-e053-d805fe0a78d9 1
False asymmetry, pseudosymmetry, disorder, polymorphism and atomic displacement parameters, file dfe4d227-023d-bb0a-e053-d805fe0a78d9 1
Capture rate and efficiency of an oscillating non-ideal trap interacting with a sea of random diffusing particles. A non-equilibrium Fokker–Planck picture, file dfe4d227-02c3-bb0a-e053-d805fe0a78d9 1
X-Ray crystallographic and computational study on uranyl–salophen complexes bearing nitro groups, file dfe4d227-260e-bb0a-e053-d805fe0a78d9 1
Equilibrium molecular energies used to obtain molecular dissociation energies and heats of formation within the bond-order correlation approach, file dfe4d227-7f45-bb0a-e053-d805fe0a78d9 1
Quantum-chemical modelling of the structural change of water due to its interaction with nanographene, file dfe4d227-8c78-bb0a-e053-d805fe0a78d9 1
Electronic structure of clusters (LiBC)n: n=1, 2 and 4, file dfe4d227-8d70-bb0a-e053-d805fe0a78d9 1
Bond-order correlation energies for small Si-containing molecules compared with ab initio results from low-order Møller–Plesset perturbation theory, file dfe4d227-91f2-bb0a-e053-d805fe0a78d9 1
Equilibrium geometries of low-lying isomers of some Li clusters, within Hartree-Fock theory plus bond order or MP2 correlation corrections, file dfe4d227-b0e0-bb0a-e053-d805fe0a78d9 1
Löwdin correlation energy density of the inhomogeneous electron liquid in some closed-shell molecules at equilibrium geometry, file dfe4d227-b3cc-bb0a-e053-d805fe0a78d9 1
From molecules and clusters of atoms to solid state properties, file dfe4d22b-8945-bb0a-e053-d805fe0a78d9 1
Simple Approaches to Calculate Correlation Energy in Polyatomic Molecular Systems, file dfe4d22d-b70b-bb0a-e053-d805fe0a78d9 1
Wrapping and unwrapping an indicaxanthin molecule: A computational approach, file dfe4d22d-f0e8-bb0a-e053-d805fe0a78d9 1
Tsallis q-exponentials as atomic orbitals in two-electron systems, file dfe4d22d-f878-bb0a-e053-d805fe0a78d9 1
Totale 27
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Categoria #
all - tutte 27
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 27
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2020/20211 0 0 0 0 0 0 0 0 1 0 0 0
2022/202320 0 0 0 0 0 0 0 11 0 1 6 2
2023/20241 0 0 0 0 1 0 0 0 0 0 0 0
Totale 27