LOMBARDO, Giuseppe Marcello

LOMBARDO, Giuseppe Marcello  

SCIENZE CHIMICHE  

Risultati 1 - 20 di 78 (tempo di esecuzione: 0.024 secondi).
Titolo Data di pubblicazione Autore(i) File
1. Force field parameters and molecular mechanics, molecular dynamics and quantum mechanical ab initio studies of 2,2,4,4,6,6-hexakis-(p-phenoxy-phenoxy-2λ5,4λ5,6λ5-cyclotriphosphaza-1,3,5-triene 1-gen-1994 Lombardo, Giuseppe Marcello; Pappalardo, G. C.
1. High-field NMR spectroscopic techniques combined with molecular dynamics simulations for the study of the inclusion complexes of alpha- and beta-cyclodextrins with the cognition activator 3-phenoxypyridine sulfate (CI-844) 1-gen-1998 Amato, Maria Emanuela; LIPKOWITZ K., B; Lombardo, Giuseppe Marcello; Pappalardo, G. C.
1/Z expansion, correlation energy, and shannon entropy of heavy atoms in nonrelativistic limit 1-gen-1998 Grassi, Antonio; Lombardo, Giuseppe Marcello; March, Nh; Pucci, R.
ADPs simulations as an additional source of fine structural information 1-gen-2015 Punzo, Francesco; Lombardo, Giuseppe Marcello
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.
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.
Bond-order, stretched chemical bonds and electron correlation 1-gen-2001 Angilella, Giuseppe Gioacchino Neil; Grassi, Antonio; Lombardo, Giuseppe Marcello; MARCH N., H; Pucci, R.
A brand new combined experimental and in silico approach to highlight structural features in the solid state 1-gen-2017 Bastos, I. T. S.; Costa, F. N.; Silva, T. F.; Barreiro, E. J.; Lima, L. M.; Braz, D.; Lombardo, G. M.; Punzo, F.; Barroso, R. C.; Ferreira, F. F.
Capture rate and efficiency of an oscillating non-ideal trap interacting with a sea of random diffusing particles. A non-equilibrium Fokker–Planck picture 1-gen-2015 Grassi, Antonio; Lombardo, Giuseppe Marcello; Pannuzzo, M; Raudino, Antonio
Correlation energies in polyatomic molecules modelled in terms of bond order 1-gen-1996 Grassi, Antonio; Lombardo, Giuseppe Marcello; March, Nh; Pucci, R.
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.
CORRELATION-ENERGY OF DIATOMIC-MOLECULES VERSUS NUMBER OF ELECTRONS 1-gen-1994 Grassi, Antonio; Lombardo, Giuseppe Marcello; March, Nh; Pucci, R.
Crystal structure and molecular mechanics, dynamics and quantum-mechanical ab initio studies of 2,2,4,4,6,6-hexakis(p-phenoxyphenoxy)-25,45,65-cyclotriphosphaza-1,3,5-triene 1-gen-1995 Bandoli, G; Gleria, M; Lombardo, Giuseppe Marcello; Pappalardo, G. C.
Derivation of Force Field Parameters for 2,2,4,4,6,6,-Hexakis-(alkyloxy)- and -(aryloxy)- 2λ5,4λ5,6λ5-cyclotriphosphaza-1,3,5,-trienes 1-gen-1995 Amato, Maria Emanuela; LIPKOWITZ K., B; Lombardo, Giuseppe Marcello; Pappalardo, G. C.
Derivation of force field parameters for 2,2,4,4,6,6-hexakis-(alkyloxy)- and -(aryloxy)-2λ5,4λ5,6λ5-cyclotriphosphaza-1,3,5-trienes 1-gen-1995 Amato, Maria Emanuela; LIPKOWITZ K., B; Lombardo, Giuseppe Marcello; Pappalardo, G. C.
Derivation of force field parameters, and force field and quantum mechanical studies of layered alpha- and gamma-zirconium phosphates 1-gen-1999 Alberti, G; Grassi, Antonio; Lombardo, Giuseppe Marcello; Pappalardo, Gc; Vivani, R.
Derivation of MM2 force-field parameters for polychlorophosphazenes (NPCl2)n from ab initio data 1-gen-1994 Grassi, Antonio; Lombardo, Giuseppe Marcello; Pappalardo, Gc
Discretization of unknown functions: A new method to solve partial differential equations with mixed boundary conditions 1-gen-1999 Grassi, Antonio; Lombardo, Giuseppe Marcello; Raudino, Antonio
“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
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