Sfoglia per Autore
“Dissociation energies in polyatomic molecules and metal clusters”
file da validare2004-01-01 Forte, Giuseppe; Lombardo, Giuseppe Marcello; Angilella, Giuseppe Gioacchino Neil; Pucci, R; MARCH N., H; Grassi, Antonio
Electronic structure of clusters (LiBC)n: n=1, 2 and 4
2005-01-01 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
file da validare2006-01-01 Forte, Giuseppe; Grassi, Antonio; Lombardo, Giuseppe Marcello; Angilella, Giuseppe Gioacchino Neil; Pucci, R; March, N. H.
Bond-Order Correlation Energy: a simple approach to obtain molecular dissociation energies and molecular heats of formation
file da validare2006-01-01 Forte, Giuseppe; Grassi, Antonio; Lombardo, Giuseppe Marcello; Angilella, Giuseppe Gioacchino Neil; Pucci, R; March, N. H.
Equilibrium molecular energies used to obtain molecular dissociation energies and heats of formation within the bond-order correlation approach
2006-01-01 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
2006-01-01 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
file da validare2007-01-01 Forte, Giuseppe; Grassi, Antonio; Marletta, Giovanni
Electron transport properties of calix[4]arene based systems in a metal-molecule-metal junction
file da validare2007-01-01 Arena, Giuseppe; I., Deretzis; Forte, Giuseppe; F., Giannazzo; A., LA MAGNA; Lombardo, Giuseppe Marcello; V., Raineri; Sgarlata, Carmelo; Spoto, Giuseppe
Molecular Modeling of oligopeptide adsorption onto functionalized quartz surfaces
file da validare2008-01-01 Forte, Giuseppe; Grassi, Antonio; Marletta, Giovanni
Molecules in clusters: The case of planar LiBeBCNOF built from a triangular form LiOB and a linear four-center species FBeCN
file da validare2008-01-01 Forte, Giuseppe; Grassi, Antonio; Lombardo, Giuseppe Marcello; Angilella, Giuseppe Gioacchino Neil; N. H., March; R., Pucci
Löwdin correlation energy density of the inhomogeneous electron liquid in some closed-shell molecules at equilibrium geometry
2008-01-01 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
2008-01-01 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
file da validare2008-01-01 LA MAGNA, A; Deretzis, J; Forte, Giuseppe; Pucci, R.
Quantum-chemical modelling of the structural change of water due to its interaction with nanographene
2009-01-01 Forte, Giuseppe; Grassi, Antonio; Lombardo, Giuseppe Marcello; Angilella, Giuseppe Gioacchino Neil; March, Nh; Pucci, R.
Conductance distribution in doped and defected graphene nanoribbons
2009-01-01 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
2009-01-01 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
file da validare2010-01-01 Forte, Giuseppe; Grassi, Antonio; Lombardo, Giuseppe Marcello; Angilella, Giuseppe Gioacchino Neil; Pucci, R.
Lack of universal conductance features in disordered graphene nanoribbons
file da validare2010-01-01 LA MAGNA, A; Deretzis, I; Forte, Giuseppe; Pucci, R.
Ab Initio Prediction of Boron Compounds Arising from Borozene: Structural and Electronic Properties
file da validare2010-01-01 Forte, Giuseppe; LA MAGNA, A; Deretzis, I; Pucci, R.
A multiscale study of electronic structure and quantum transport in C6n2H6n-based graphene quantum dots
file da validare2010-01-01 Deretzis, I; Forte, Giuseppe; Grassi, Antonio; La Magna, A; Piccitto, Giovanni; Pucci, R.
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 |
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