Giuseppe Marcello LOMBARDO

Professore associato di CHIMICA GENERALE E INORGANICA [CHIM/03]
Ufficio: Cittadella Universitaria, V.le A. Doria 6, 95125 Catania. Edificio 1 corpo B piano 2
Email: glombard@unict.it
Telefono: +39 095 738 5058
Fax: +39 095 580138


Ricercatore Universitario (SSD CHIM/03):  decorrenza 4-8-1995, presso la Facoltà di Farmacia dell’Università degli studi di Catania.

Professore Associato (SSD CHIM/03): decorrenza 1-11-2010 presso il Dipartimento di Scienze del Farmaco dell’Università degli studi di Catania.

“Short Term Fellowship” nel 1996, programma C.N.R. – Enti di Ricerca Italiani ed Istituzioni di Ricerca Stranieri –  presso il Department of Chemistry, Indiana University-Purdue University (IUPUI), Indianapolis, USA;
Periodi di studio su invito presso il Department of Chemistry della IUPUI, negli anni 1998 e 2000 - Ricerche finanziate dall’International Exchange Affiliations Grant Program of Indiana University (Indiana, USA).


Attività Scientifica

Tematiche di ricerca:
I) Sviluppo di metodologie teorico-sperimentali integrate;
II) Sistemi Cristallini e Lamellari;
III) Composti elemento-organici;
IV) Modellistica.

Numero pubblicazioni: 76.

Le ricerche sono svolte utilizzando tecniche sperimentali (NMR, X-ray scattering) e teoriche (calcoli di dinamica molecolare, quanto-meccanici ab-initio e semiempirici), in collaborazioni con vari ricercatori di Istituti di ricerca italiani e stranieri, tra i quali: 

  • Dipartimento di Fisica, Università di Catania, Italia.
  • Dipartimento di Scienze Chimiche, Università di Perugia, Italia.
  • Istituto FRAE, CNR, Legnaro (Padova), Italia.
  • Dipartimento di Chimica, Università la Sapienza, Roma, Italia.
  • Inorganic Chemistry Department, Oxford University, Oxford, U.K..
  • Department of Chemistry, Indiana University-Purdue University, Indianapolis, USA.
  • Departamento de Quimica Organica y Inorganica, Universidad de Oviedo, Oviedo, Spain.
  • Instituto de Ciencia y Tecnologia de Materiales, Universidad de La Habana, La Habana, Cuba
  • Department of Chemistry, Materials and Chemical Engineering “Giulio Natta” Politecnico di Milano, Italy.
  • Department of Chemistry, Nanoscience Center, University of Jyväskylä,  Finland
  • ORCID: 0000-0002-1365-8608
  • CINECA IRIS Institutional Research Information System: link al sito

    Autori, Titolo, Data pubblicazione, ISBN, Editore, Luogo editore, Rivista, Volume, Issue, Book, Prima pagina, Ultima pagina

  • Forte, G.; Grassi, A.; Lombardo, G. M.; Pucci, R.; Angilella, G. G. N., From molecules and clusters of atoms to solid state properties, 2018, 9783319723747, Springer, New York, Many-body approaches at different scales: a tribute to Norman H. March on the occasion of his 90th birthday, 239- 248.
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  • 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., A brand new combined experimental and in silico approach to highlight structural features in the solid state, 2017, JOURNAL OF MOLECULAR STRUCTURE, 1146, 735-743.
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  • Grassi A; Lombardo G; Forte G, Simple Approaches to Calculate Correlation Energy in Polyatomic Molecular Systems, 2017, Correlations in Condensed Matter under Extreme Conditions, 279-287.
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  • Valkonen A; Lombardo G; Rissanen K; Punzo F; Cametti M, X-Ray crystallographic and computational study on uranyl–salophen complexes bearing nitro groups, 2017, DALTON TRANSACTIONS, 46, 5240-5249.
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  • Grassi A; Lombardo G; Pannuzzo M; Raudino  A, Capture rate and efficiency of an oscillating non-ideal trap interacting with a sea of random diffusing particles. A non-equilibrium Fokker–Planck picture, 2015, PHYSICS LETTERS A, 379, 4, 241-245.
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  • Punzo F; Lombardo G, ADPs simulations as an additional source of fine structural information, 2015, ACTA CRYSTALLOGRAPHICA. SECTION A, FOUNDATIONS AND ADVANCES, 71(a1), s491-s492.
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  • Grassi, Antonio; Lombardo, Giuseppe Marcello; Angilella, Giuseppe Gioacchino Neil; March, N. H.; Pucci, R.; Klein, D. J.; Balaban, T., Fingerprints of antiaromaticity in the negative ion Li3Al4- with anab initio quantum chemical study of the equilibrium structure of the inhomogeneous electron liquid, 2014, PHYSICS AND CHEMISTRY OF LIQUIDS, 52, 2, 354-360.
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  • Lombardo G; Rescifina A; Punzo F, Functional hybrid co-crystals of humic substances: a growth forecast, 2014, CRYSTENGCOMM, 16, 26, 5917-5923.
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  • Lombardo G; Punzo F, False asymmetry, pseudosymmetry, disorder, polymorphism and atomic displacement parameters, 2014, JOURNAL OF MOLECULAR STRUCTURE, 1078, 158-164.
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  • Lombardo, Giuseppe Marcello; Rescifina, Antonio; Chiacchio, Ugo; Bacchi, A; Punzo, Francesco, A top-down approach to crystal engineering of a racemic Δ2-isoxazoline, 2014, ACTA CRYSTALLOGRAPHICA. SECTION B, STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS, 69, 45, 172-180.
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  • Lazo Fraga Ana Rosa; Ferreira Fabio Furlan; Lombardo Giuseppe M.; Punzo F, Experimental and theoretical characterization of N-(diethylcarbamothioyl)benzamide triclinic polymorph, 2013, JOURNAL OF MOLECULAR STRUCTURE, 1047, 1-8.
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  • Pistarà, Venerando; Lombardo, Giuseppe Marcello; Rescifina, Antonio; Bacchi, Alessia; D'Andrea, Felicia; Punzo, Francesco, Experimental and in silico characterization of a biologically active inosose, 2013, STRUCTURAL CHEMISTRY, 24, 3, 955-965.
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  • Lombardo Giuseppe M.; Portalone Gustavo; Chiacchio Ugo; Rescifina Antonio; Punzo F, Potassium caffeate/caffeic acid co-crystal: the rat race between the catecholic and carboxylic moieties in an atypical co-crystal, 2012, DALTON TRANSACTIONS, 41, 47, 14337-14344.
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  • Lombardo, Giuseppe Marcello; Thompson, Amber L.; Ballistreri, Francesco Paolo; Pappalardo, Andrea; TRUSSO SFRAZZETTO, Giuseppe; Tomaselli, Gaetano; Toscano, Rosa Maria; Punzo, Francesco, An integrated X-ray and molecular dynamics study of uranyl-salen structures and properties, 2012, DALTON TRANSACTIONS, 41, 7, 1951-1960.
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  • Lombardo G; Portalone G; Colapietro M; Rescifina A; Punzo F, From the X-rays to a reliable "low cost" computational structure of caffeic acid: DFT, MP2, HF and integrated molecular dynamics-X-ray diffraction approach to condensed phases RID A-4921-2011, 2011, JOURNAL OF MOLECULAR STRUCTURE, 994, 1-3, 87-96.
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  • GARCÌA-ALVAREZ J.L; AMATO M; LOMBARDO G. M; CARRIEDO G.A; PUNZO F, Self-Organization by Chiral Recognition Based on ad hoc Chiral Pockets in Cyclotriphosphazenes with  Binaphthxy and Biphenoxy Substituents: An X-ray, NMR and Computational Study, 2010, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 28, 4483-4491.
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  • FORTE G; GRASSI A; LOMBARDO G. M; ANGILELLA G.G.N; PUCCI R, First Principle study of impurities in graphene: HF. DFT, and MP2 methods comparison, 2010, CARBOMAT Workshop on Carbon Based Low DImensional Material.
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  • ALVAREZ J. L. G; AMATO M. E; LOMBARDO G; CARRIEDO G. A; PUNZO F, Self-organization by chiral recognition based on ad hoc chiral pockets in cyclotriphosphazenes with binaphthoxy and biphenoxy substituents: an X-ray, NMR and computational study, 2010, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2010/28, 28, 4483-4491.
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  • Forte G; Grassi A; Lombardo GM; Angilella GGN; March NH; Pucci R, Quantum-chemical modelling of the structural change of water due to its interaction with nanographene, 2009, PHYSICS AND CHEMISTRY OF LIQUIDS, 47, 6, 599-606.
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  • LOMBARDO G; PAPPALARDO G.C; COSTANTINO F; COSTANTINO U; SISANI M, Integrated X-ray Diffraction - Molecular Dynamics Study of Ternary (Cu/Zn/Al) Hydrotalcite-like Compounds containing two Different Interlayer Anions, 2008, O24.
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  • GRASSI A; LOMBARDO G; ANGILELLA G.G.N; FORTE G; MARCH N. H; VAN ALSENOY C; PUCCI R, Löwdin correlation energy density of the inhomogeneous electron liquid in some closed-shell molecules at equilibrium geometry, 2008, PHYSICS AND CHEMISTRY OF LIQUIDS, 46, 5, 484-490.
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  • LOMBARDO G; PAPPALARDO G.C; COSTANTINO F; COSTANTINO U; SISANI M, STUDY OF MIXED METAL (Cu/Zn/Al) LAYERED DOUBLE HYDROXIDES (LDHs) BY INTEGRATED X-RAY POWDER DIFFRACTION - MOLECULAR DYNAMICS (XRPD-MD) TECHNIQUE, 2008, II.2 / P-023.
  • LOMBARDO G; PAPPALARDO G.C; COSTANTINO F; COSTANTINO U; SISANI M, Thermal effects on mixed metal (Zn/Al) layered double hydroxides: Direct modeling of the X-ray powder diffraction line shape through molecular dynamics simulations, 2008, CHEMISTRY OF MATERIALS, 20, 17, 5585-5592.
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  • FORTE G; GRASSI A; LOMBARDO G.M; LA MAGNA A; ANGILELLA G.G.N.; PUCCI R; VILARDI R, Modeling vacancies and hydrogen impurities in graphene: A molecular point of view, 2008, PHYSICS LETTERS A, 372, 40, 6168-6174.
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  • FORTE G; A. GRASSI; G.M. LOMBARDO; G.G.N. ANGILELLA; N.H. MARCH; R. PUCCI, Molecules in clusters: The case of planar LiBeBCNOF built from a triangular form LiOB and a linear four-center species FBeCN, 2008, PHYSICS LETTERS A, 372, 3253-3255.
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  • G. ARENA; I. DERETZIS; G. FORTE; F. GIANNAZZO; A. LA MAGNA; G. LOMBARDO; V. RAINERI; SGARLATA C; G. SPOTO, Electron transport properties of calix[4]arene based systems in a metal-molecule-metal junction, 2007, NEW JOURNAL OF CHEMISTRY, 31, 5, 756-761.
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  • LOMBARDO G; PAPPALARDO G.C; COSTANTINO F; COSTANTINO U; SISANI M, Integrated XRPD-MD Study of Thermal Effects on Mixed Metal (Cu/Zn/Al) Layered Double Hydroxides (LDHs), Precursors for the OSRM Reaction Catalysts, 2007, O17.
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  • LOMBARDO G; PAPPALARDO G.C; COSTANTINO F; COSTANTINO U; SISANI M, Novel Integrated X-ray Diffraction and Molecular Dynamics Approaches for Structure Analysis, 2006, 307.
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  • Grassi A; Lombardo GM; Forte G; Angilella GGN; Pucci R; March NH, Equilibrium molecular energies used to obtain molecular dissociation energies and heats of formation within the bond-order correlation approach, 2006, MOLECULAR PHYSICS, 104, 3, 453-461.
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  • GRASSI A; LOMBARDO G; FORTE G; ANGILELLA G.G.N; PUCCI R; MARCH N.H, Bond-order correlation energies for small Si-containing molecules compared with ab initio results from low-order Møller–Plesset perturbation theory, 2006, MOLECULAR PHYSICS, 104, 9, 1447-1456.
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  • 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, 2006, XXII Congresso della Società Chimica Italiana (SCI2006), 326.
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  • LOMBARDO G; PAPPALARDO G.C; COSTANTINO F; COSTANTINO U; SISANI M, THERMAL EFFECTS ON MIXED METAL (ZN/AL) LAYERED DOUBLE HYDROXIDES (LDHS): DIRECT MODELLING OF THE X-RAY POWDER DIFFRACTION (XRPD) LINE-SHAPE THROUGTH MOLECULAR DYNAMICS (MD) SIMULATIONS, 2006, 53.
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  • Forte, Giuseppe; Grassi, Antonio; Lombardo, Giuseppe Marcello; Angilella, Giuseppe Gioacchino Neil; Pucci, R; March, N. H., Correlation energies, molucular dissociation energies, and heats of formation within the Bond-Order correlation approach, 2006, XX Congresso Nazionale SCI, 1-2.
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  • Lombardo, Gm; Pappalardo, Gc; Punzo, F; Costantino, F; Costantino, U, A novel integrated X-ray powder diffraction (XRPD) and molecular dynamics (MD) approach for modelling mixed-metal (Zn, Al) layered double hydroxides (LDHs), 2005, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2005/24, 24, 5026-5034.
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  • Lombardo, Giuseppe Marcello; PAPPALARDO G., C; Punzo, Francesco; Costantino, F; Costantino, U; Sisani, M., A novel Integrated X-ray powder diffraction (XRPD) and molecular dynamics (MD) approach for modelling mixed-metal (Zn, Al)Layer Double Hydroxides (LDHs), 2005, International Conference on New Proton Conducting Membranes and Electrodes for PEM FCs, 106-107.
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  • Lombardo GM; Grassi A; Forte G; Angilella GGN; Pucci R; March NH, Electronic structure of clusters (LiBC)n: n=1, 2 and 4, 2005, PHYSICS LETTERS A, 338/3-5, 3-5, 303-308.
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  • Costantino, F; Costantino, U; Lombardo, Giuseppe Marcello; PAPPALARDO G., C; Punzo, Francesco; Sisani, M., A novel approach for direct modelling of the XRPD spectrum using MD simulation technique: application to the study of calcinated Layer Double Hydroxides, 2005, XXXIII Congresso Nazionale della Divisione di Chimica Inorganica della Società Chimica Italiana, CO30.
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  • Gambino GL; Lombardo GM; Grassi A; Marletta G, Molecular Modeling of Interactions between L-Lysine and a Hydroxylated Quartz Surface, 2004, JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL, 108/8, 8, 2600-2607.
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  • FORTE G; LOMBARDO G. M; ANGILELLA G. G. N; PUCCI R; MARCH N. H; GRASSI A, “Dissociation energies in polyatomic molecules and metal clusters”, 2004, 81-7895-138-X, Transworld Research Network, TRIVANDRUM, 2, Recent Research Developments in Molecular Physics, 1-8.
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  • GRASSI A; LOMBARDO G; PUCCI R; ANGILELLA G.G.N; BARTHA F; MARCH N.H, Stretched chemical bonds in Si6H6: a transition from ring currents to localized pi-electrons?, 2004, CHEMICAL PHYSICS, 297/1-3, 1-3, 13-19.
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  • U., COSTANTINO U; Lombardo, Giuseppe Marcello; Marmottini, F; P. A. P. P. A. L. A. R. D. O. G., C; Punzo, Francesco; Vivani, R., MOLECULAR DYNAMICS (MD) AND POWDER X-RAY DIFFRACTION (XRD) COMBINED STUDY OF THE SOLID-STATE STRUCTURE OF LOW CRYSTALLINE MIXED-METAL (Cu, Zn, Al) LAYERED DOUBLE HYDROXYDES (LDHs), 2004, CONGRESSO NAZIONALE DELLA DIVISIONE DI CHIMICA INORGANICA, C16.
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  • CARRIEDO G.A; ALONSO GARCIA F.J; ALVAREZ GARCIA J.L; LOMBARDO G; PAPPALARDO G.C; PUNZO F, Molecular Dynamics (MD) Simulations and Large-Angle X-ray Scattering (LAXS) Studies of the Solid-State Structure and Assembly of Isotactic (R)-Poly(2,2-dioxy-1,1-binaphthyl-)phosphazene in the Bulk State and in the Cast Film, 2004, CHEMISTRY-A EUROPEAN JOURNAL, 10/15, 15, 3775-3782.
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  • GRASSI A; LOMBARDO G; ANGILELLA G.G.N; MARCH N.H; PUCCI R, Equilibrium geometries of low-lying isomers of some Li clusters, within Hartree-Fock theory plus bond order or MP2 correlation corrections, 2004, THE JOURNAL OF CHEMICAL PHYSICS, 120/24, 24, 11615-11620.
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  • MAIER N.M; SCHEFZICK S; LOMBARDO G; FELIZ M; RISSANEN K; LINDNER W; LIPKOWITZ K. B, Elucidation of the Chiral Recognition Mechanism of Cinchona Alkaloid Carbamate-type Receptors for 3,5-Dinitrobenzoyl Amino Acids, 2002, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 124/29, 8611-8629.
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  • AMATO M.E; CARRIEDO G.A; GARCIA ALONSO F.J; GARCIA ALVAREZ J.L; LOMBARDO G; PAPPALARDO G.C, Stereochemistry in solution of spiro-2,2'-dioxybiphenyl-cyclotriphosphazenes: an NMR spectroscopic study combined with molecular dynamics simulations, 2002, JOURNAL OF THE CHEMICAL SOCIETY. DALTON TRANSACTIONS, 2002/15, 3047-3053.
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  • ALBERTI G; LOMBARDO G; PAPPALARDO G.C; VIVANI R, Modeling and Analysis of the X-ray Powder Diffraction Structure of gamma-Zirconium Phosphates Pillared with Butyl Chains through Molecular Dynamics Simulations, 2002, CHEMISTRY OF MATERIALS, 14/1, 295-303.
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  • AMATO M.E; CAMINITI R; CARRIEDO G.A; GARCIA ALONSO F.J; GARCIA ALVAREZ J.L; LOMBARDO G; PAPPALARDO G.C, Structural Features and Molecular Assembly of Amorphous Phosphazenic Materials in the Bulk - Combined Theoretical and Experimental Techniques: Tris-(2,2-dioxy-1,1-binaphthyl)cyclotriphosphazene, 2001, CHEMISTRY-A EUROPEAN JOURNAL, 7/7, 1486-1494.
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  • AMATO M; CAMINITI R; CARRIEDO G.A; GARSA-ALONSO F.J; GARCA-ALVAREZ J.L; LOMBARDO G. M; PAPPALARDO G.C, Structural features and Molecular assembly of Amorphous Phosphazenic materials in the bulk. Combined theoretical (Molecular Dinamics, MD) and Experimantal (Energy Dispersive X-Ray Scattering, EDXD) techniques; tris(2,2’-dioxy-1,1’-binaphthyl)cyclotriphosphazene, 2001, CHEMISTRY-A EUROPEAN JOURNAL, 7, 1486-1494.
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  • ANGILELLA G. G. N; GRASSI A; LOMBARDO G. M; MARCH N. H; PUCCI R, Bond-order, stretched chemical bonds and electron correlation, 2001, 81-7895-021-9, Transworld Research Network, TRIVANDRUM, 2, Recent Research Developments in Quantum Chemistry, 9, 21.
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  • Grassi A; Lombardo GM; Raudino A, Discretization of unknown functions: A new method to solve partial differential equations with mixed boundary conditions, 1999, JOURNAL OF MATHEMATICAL CHEMISTRY, 25, 4, 321-344.
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  • AMATO M; LOMBARDO G; PAPPALARDO G, The quantitative analysis of NOE in the rotatine frame: HR-NMR techniques combined with MD simulations in the case of the host-guest complexes with Cyclodextrins, 1999.
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  • Alberti, G; Grassi, Antonio; Lombardo, Giuseppe Marcello; Pappalardo, Gc; Vivani, R., Derivation of force field parameters, and force field and quantum mechanical studies of layered alpha- and gamma-zirconium phosphates, 1999, INORGANIC CHEMISTRY, 38, 19, 4249-4255.
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  • CAMINITI R; GLERIA M; LIPKOWITZ K.B; LOMBARDO G; PAPPALARDO G.C, Molecular Modeling and Large-Angle X-ray Scattering Studies of the Structure of Semicrystalline Poly[bis(phenoxy)phosphazene], 1999, CHEMISTRY OF MATERIALS, 11/6, 1492-1497.
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  • Grassi A; Lombardo GM; March NH; Pucci R, 1/Z expansion, correlation energy, and shannon entropy of heavy atoms in nonrelativistic limit, 1998, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 69, 6, 721-726.
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  • AMATO M.E; LIPKOWITZ K.B; LOMBARDO G; 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), 1998, MAGNETIC RESONANCE IN CHEMISTRY, 36/10, 693-705.
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  • GRASSI A; IRGOLIC K.J; LOMBARDO G; PAPPALARDO G.C, Quantum mechanical studies of organometallic materials containing the Se-Te bond, 1998, PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, 136, 417-422.
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  • Lumbroso H; Amato ME; Lombardo GM; Grassi A, Mesomeric and pi-moments in some hetero-conjugated compounds, 1998, JOURNAL OF MOLECULAR STRUCTURE, 442/1-3, 1-3, 183-194.
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  • CAMINITI R; GLERIA M; LIPKOWITZ K.B; LOMBARDO G; PAPPALARDO G.C, Molecular Dynamics Simulations Combined with Large Angle X-ray Scattering Technique For the Determination of the Structure, Conformation, and Conformational Dynamics of Polyphosphazenes in Amorphous Phase: Study of Poly[di-(4-methylphenoxy)phosphazene], 1997, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 119/9, 2196-2204.
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  • AMATO M.E; LIPKOWITZ K.B; LOMBARDO G; PAPPALARDO G.C, NMR spectroscopic evidence and molecular dynamics studies on inclusion and non-inclusion phenomena between beta-cyclodextrin and new anti-Alzheimer's drugs tacrine (CI-970), velnacrine (HP-029) and suronacrine (HP-128), 1996, JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS II, 1996/3, 321-325.
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  • AMATO M; LIPKOWITZ K.B; LOMBARDO G.M; PAPPALARDO G.C, NMR spectroscopic evidences and molecular dynamics studies on inclusion and non-inclusion phenomena between β-Cyclodextrin and New anti-Alzheimer’s drugs Tacrine (CI-970),Velnacrine (HP-029) and Suronacrine (HP-128), 1996, JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS II, 321-325.
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  • Grassi A; Lombardo GM; March NH; Pucci R, Correlation energies in polyatomic molecules modelled in terms of bond order, 1996, MOLECULAR PHYSICS, 87/3, 3, 553-567.
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  • Amato, Maria Emanuela; Grassi, Antonio; Lipkowitz, Kb; Lombardo, Giuseppe Marcello; Pappalardo, Gc; Sadun, C., Molecular dynamics simulations of polyphosphazenes: Poly[bis(chloro)phosphazene][NPCl2](n), 1996, JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS, 6, 3, 237-253.
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  • AMATO M; LOMBARDO G, Tecniche Spettroscopiche NMR ad Alto Campo e di Simulazione Dinamica Applicate allo Studio di Complessi di Inclusione con Ciclodestrine, 1996.
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  • Baldo M; Grassi A; Lombardo GM; Raudino A, Interfacial diffusion controlled reactions with time varying absorbing domains, 1996, THE JOURNAL OF CHEMICAL PHYSICS, 105/18, 18, 8404-8412.
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  • BANDOLI G; GLERIA M; LOMBARDO G; PAPPALARDO G.C, 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, 1995, JOURNAL OF THE CHEMICAL SOCIETY DALTON TRANSACTIONS, 1995/10, 1749-1754.
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  • AMATO M; LIPKOWITZ K.B; LOMBARDO G.M; 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, 1995, JOURNAL OF MOLECULAR STRUCTURE, 69-84.
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  • AMATO MAE; LOMBARDO G; PAPPALARDO G.C; SCARLATA G, High field NMR techniques, molecular modelling and molecular dynamics simulations in the study of the inclusion complex of the cognition activator (±)-1-(4-methoxybenzoyl)-5-oxo-2-pyrrolidinepropanoic acid (CI-933) with &, 946;-cyclodextrin, 1995, JOURNAL OF MOLECULAR STRUCTURE, 350/1, 71-82.
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  • AMATO M; LOMBARDO G.M; PAPPALARDO G.C; SCARLATA G, High Field NMR Techniques, Molecular Modelling and Molecular Dynamics Simulations in the Study of the Inclusion Complexes  of the Cognition Activator (±)-1-(4-methoxy-benzoyl)-5-oxo-2-pyrrolidinepropanoic acid (CI-933) with β-Cyclodextrin, 1995, JOURNAL OF MOLECULAR STRUCTURE, 350, 71-82.
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  • AMATO M.E; LIPKOWITZ K.B; LOMBARDO G; PAPPALARDO G.C, Derivation of force field parameters for 2,2,4,4,6,6-hexakis-(alkyloxy)- and -(aryloxy)-2&, 955;5,4&, 955;5,6&, 955;5-cyclotriphosphaza-1,3,5-trienes, 1995, JOURNAL OF MOLECULAR STRUCTURE, 372/1, 69-84.
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  • GRASSI A; LOMBARDO G; MARCH N. H; PUCCI R, Scaling properties of correlation energies of homonuclear diatoms, 1995, MOLECULAR PHYSICS, 86/5, 5, 1229-1231.
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  • GRASSI A; LOMBARDO GM; MARCH NH; PUCCI R, CORRELATION-ENERGY OF DIATOMIC-MOLECULES VERSUS NUMBER OF ELECTRONS, 1994, MOLECULAR PHYSICS, 81, 5, 1265-1268.
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  • LOMBARDO G; PAPPALARDO G.C, 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, 1994, PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS, 93-94, 417-418.
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  • LOMBARDO G; PICCITTO G; PUCCI R, Study of cis-trans isomerization of polyacetylene induced by doping, 1994, PHILOSOPHICAL MAGAZINE. B. PHYSICS OF CONDENSED MATTER. STRUCTURAL, ELECTRONIC, OPTICAL AND MAGNETIC PROPERTIES, 69/5, 925-930.
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  • GRASSI A; LOMBARDO GM; PAPPALARDO GC, Derivation of MM2 force-field parameters for polychlorophosphazenes (NPCl2)n from ab initio data, 1994, JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM, 117, 101-110.
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  • LOMBARDO G; PICCITTO G; PUCCI R, Molecular dynamics-modified-neglect-of-diatomic-overlap study of the thermal isomerization mechanism from cis to trans form in polyacetylene, 1993, THE JOURNAL OF CHEMICAL PHYSICS, 98/7, 5477-5485.
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