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Mostrati risultati da 1 a 20 di 117
Titolo Data di pubblicazione Autore(i) File
“Dissociation energies in polyatomic molecules and metal clusters” 1-gen-2004 Forte, Giuseppe; Lombardo, Giuseppe Marcello; Angilella, Giuseppe Gioacchino Neil; Pucci, R; MARCH N., H; Grassi, Antonio file da validare
Electronic structure of clusters (LiBC)n: n=1, 2 and 4 1-gen-2005 Lombardo, Giuseppe Marcello; Grassi, Antonio; Forte, Giuseppe; Angilella, Giuseppe Gioacchino Neil; Pucci, R; March, Nh
Correlation energies, molucular dissociation energies, and heats of formation within the Bond-Order correlation approach 1-gen-2006 Forte, Giuseppe; Grassi, Antonio; Lombardo, Giuseppe Marcello; Angilella, Giuseppe Gioacchino Neil; Pucci, R; March, N. H. file da validare
Bond-Order Correlation Energy: a simple approach to obtain molecular dissociation energies and molecular heats of formation 1-gen-2006 Forte, Giuseppe; Grassi, Antonio; Lombardo, Giuseppe Marcello; Angilella, Giuseppe Gioacchino Neil; Pucci, R; March, N. H. file da validare
Equilibrium molecular energies used to obtain molecular dissociation energies and heats of formation within the bond-order correlation approach 1-gen-2006 Grassi, Antonio; Lombardo, Giuseppe Marcello; Forte, Giuseppe; Angilella, Giuseppe Gioacchino Neil; Pucci, R; March, Nh
Bond-order correlation energies for small Si-containing molecules compared with ab initio results from low-order Møller–Plesset perturbation theory 1-gen-2006 Grassi, Antonio; Lombardo, Giuseppe Marcello; Forte, Giuseppe; Angilella, Giuseppe Gioacchino Neil; Pucci, R; March, N. H.
Molecular modeling of oligopeptide adsorption onto functionalized quartz surfaces 1-gen-2007 Forte, Giuseppe; Grassi, Antonio; Marletta, Giovanni file da validare
Electron transport properties of calix[4]arene based systems in a metal-molecule-metal junction 1-gen-2007 Arena, Giuseppe; I., Deretzis; Forte, Giuseppe; F., Giannazzo; A., LA MAGNA; Lombardo, Giuseppe Marcello; V., Raineri; Sgarlata, Carmelo; Spoto, Giuseppe file da validare
Molecular Modeling of oligopeptide adsorption onto functionalized quartz surfaces 1-gen-2008 Forte, Giuseppe; Grassi, Antonio; Marletta, Giovanni file da validare
Molecules in clusters: The case of planar LiBeBCNOF built from a triangular form LiOB and a linear four-center species FBeCN 1-gen-2008 Forte, Giuseppe; Grassi, Antonio; Lombardo, Giuseppe Marcello; Angilella, Giuseppe Gioacchino Neil; N. H., March; R., Pucci file da validare
Löwdin correlation energy density of the inhomogeneous electron liquid in some closed-shell molecules at equilibrium geometry 1-gen-2008 Grassi, Antonio; Lombardo, Giuseppe Marcello; Angilella, Giuseppe Gioacchino Neil; Forte, Giuseppe; March, N. H.; VAN ALSENOY, C; Pucci, R.
Modeling vacancies and hydrogen impurities in graphene: A molecular point of view 1-gen-2008 Forte, Giuseppe; Grassi, Antonio; Lombardo, Giuseppe Marcello; LA MAGNA, A; Angilella, Giuseppe Gioacchino Neil; Pucci, R; Vilardi, R.
Violation of the single-parameter scaling hypothesis in disordered graphene nanoribbons 1-gen-2008 LA MAGNA, A; Deretzis, J; Forte, Giuseppe; Pucci, R. file da validare
Quantum-chemical modelling of the structural change of water due to its interaction with nanographene 1-gen-2009 Forte, Giuseppe; Grassi, Antonio; Lombardo, Giuseppe Marcello; Angilella, Giuseppe Gioacchino Neil; March, Nh; Pucci, R.
Conductance distribution in doped and defected graphene nanoribbons 1-gen-2009 LA MAGNA, A; Deretzis, I; Forte, Giuseppe; Pucci, R.
Structures and properties in different media of N,N-(diethylcarbamothioyl)furan-2-carboxamide: A ionophore for sensor membranes 1-gen-2009 Lazo Fraga Ana, Rosa; Collins, Anna; Forte, Giuseppe; Rescifina, Antonio; Punzo, Francesco
First Principle study of impurities in graphene: HF. DFT, and MP2 methods comparison 1-gen-2010 Forte, Giuseppe; Grassi, Antonio; Lombardo, Giuseppe Marcello; Angilella, Giuseppe Gioacchino Neil; Pucci, R. file da validare
Lack of universal conductance features in disordered graphene nanoribbons 1-gen-2010 LA MAGNA, A; Deretzis, I; Forte, Giuseppe; Pucci, R. file da validare
Ab Initio Prediction of Boron Compounds Arising from Borozene: Structural and Electronic Properties 1-gen-2010 Forte, Giuseppe; LA MAGNA, A; Deretzis, I; Pucci, R. file da validare
A multiscale study of electronic structure and quantum transport in C6n2H6n-based graphene quantum dots 1-gen-2010 Deretzis, I; Forte, Giuseppe; Grassi, Antonio; La Magna, A; Piccitto, Giovanni; Pucci, R. file da validare
Mostrati risultati da 1 a 20 di 117
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