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Representative
publications |
E. Fois, A. Gamba, G. Tabacchi, First Principles Simulation of the Intracage Oxidation of Nitrite to Nitrate Sodalite, Chem.,Phys., 2000, 329, 1
A.Pelmenschikov, G. Morosi, A. Gamba, S. Coluccia, G.Martra,L.G.M. Petterson,“Can the Three-Coordinated Mg Site of MgO Accomodate More than One CO Molecule?” J.Phys.Chem B,2000,104,11497-11500.
E.Fois, A Gamba,E.Spanó,”Electronic Properties of new zeolitic supra-lattices” Phys.Chem,Chem.Phys 2001,3, 1877-1882.
E.Fois,A. Gamba,G.Tabacchi, S. Quartieri, G. Vezzalini, “On the collective properties of water molecules in one dimensional zeolitic channels”,.Phys.Chem.Chem.Phys.(2001).
E.Fois, A.Gamba, G.Tabacchi,”Water Molecules in single File: First-Principles Studies of One Dimensional Water Chains in Zeolites”, J.Phys.Chem B, 2001, 105, 3012-3016
E. Fois, A. Gamba, E. Spanó, G.Tabacchi, “Ab initio Simulation of Zeolites of Tecnological Interest Including Heteroatoms in the Framework” Proc.of 7 European Conference on advanced Materials andProcesses, 2001, Rimini (Italy), 137-138.
M. Cavalleri, A.Pelnschikov, G.Morosi, A. Gamba, S. Coluccia, G. Martra, “Dissociative Adsorption on defect sites of MgO: a combined IR Spectroscopic and Quantum Chemical Study” Studies in Surface Science and Catalysis, 140, 131-139, A. Gamba, C. Colella, s. Coluccia Eds, 2001, Elsevier Science B.V.
E. Fois, a. Gamba, G.Tabacchi, “Intracage Chemistry: Nitrite to Nitrate oxidation via molecular oxygen.” Studies in Surface Science and Catalysis, 140, 251-268, A. Gamba, C. Colella, s. Coluccia Eds, 2001, Elsevier Science B.V.
E.Fois, A.Gamba, A.Tilocca, “Structure and dynamics of the flexible triple helix of water inside VPI-5 molecular sieves”, J Phys. Chem.B., 2002,106,4806-4812.
O. Ferro, S. Quartieri, G. Vezzalini, E Fois, A.Gamba, G.Tabacchi; “High pressure beheviour of bikitaite: an integrated theoretical and experimental approach”, Am.Min, 87, 1415-1425, 2002.
A. Alberti, E.Fois, A.Gamba, “A Molecular Dynamics study of the behaviour of sodium in low albite”,Amer. Miner.,88, 1-10,2003.
Fois, A.Gamba, A.Tilocca, M.A. Vanoni, “ First-Principle Molecular Dynamics investigation of the D-aminoacid oxidative reaction catalyzed by flavoenzymes”, Biochem., 2002, 41,14111-
14121.
C.Ceriani, E.Fois, A.Gamba, “The Role of extra framework cations on the structure of dehydrated Li- ABW. A computer simulation study.”Micro.Meso Materials, 2002,57,73-81.
E.Fois, A.Gamba, E.Spanó “Ab Initio investigation of a Ti center in Offretite”, Studies in Surface Science and Catalysis, 142 , Tech Reports, Elsevier, Amsterdam,2002.
E.Fois, A.Gamba, G.Tabacchi, O.Ferro, S.Quartieri, G.Vezzalini, A theoretical investigation on pressure –induced changes in the vibrational spectrum of zeolite Bikitaite, Studies in Surface
Science Catalysis , 142, pg.1877-1884,2002.
E.Fois, A.Gamba, A.Tilocca, “On the unusual stability of Maya Blue paint: Molecular Dynamics simulations”Micro. Meso. Mat. , 2003, 57, 263-272
E. Fois, A. Gamba, E. Spanó, G. Tabacchi, “Rotation of molecules and ions in confined Spaces first-principles simulation study” J. Mol. Struct., 2003, 644, 55-66
E.Fois, A.Gamba, G.Tabacchi, S.Coluccia, G.Martra, “Ab Inizio Study of Defect Sites in Surfaces of Mesoporous Silica” J. Phys. Chem..B, ottobre 2003 , J.Phys.Chem.,107 (39): 10767-10772 (2003)
E.Fois, A. Gamba, G. Tabacchi, S. Coluccia, M. Martra, “ Properties of defect centres on nanothick Silica layers: an ab initio investigation”. J. Porous Mat, 2003 in corso di stampa.
O.Ferro, S.Quartieri, G.Vezzalini, C.Ceriani, E.Fois, A.Gamba, G.Cruciali “Dehydration dynamics of bikitaite:Part I. In situ synchroton powder X-ray diffraction study”.Am. Miner.,2004,89,94-101.
E. Fois, A. Gamba, E. Spanó, “Competition between Water and Hydrogen Peroxide at Ti Centre in Titanium Zeolites. An Ab Initio Study.”, J. Phys Chem. B., 108 (28): 9557-9560 (2004).
C.Ceriani, A. Laio, E. Fois, A. Gamba, R. Martonak and M. Parrinello. “Molecular dynamics simulation of reconstructive phase transitions on anhydrous Li-ABW zeolite” Physical Rew. B 70, 113403 (2004).
Ceriani C., Fois E., Gamba A., Tabacchi G., Ferro O., Quartieri S., Vezzalini G. “Dehydration dynamics of bikitaite: PartII. Ab initio molecular dynamics study” American Mineralogist, 89 (1): 102-109 Jan 2004
Fois E., Gamba A., Spano E. “Ab inizio molecular dynamics simulation of the interaction between water and Ti in zeolitic systems” Journal of Physical Chemistry B, 108(1): 154-159 Jan 8 2004
E.Fois, A.Gamba, G.Tabacchi, R. Arletti, S.Quartieri, G.Vezzalini, “The “template” effect of the extra-framework content on zeolite compression: The case of yugawaralite”, Amer. Mineral., 90,28-35 (2005).
E. Fois, A.Gamba, G.Tabacchi “Electronic Spectra of Ti (IV) in Zeolites: An Ab Initio Approach”, ChemPhysChem 2005, 6, 1237-1239
Oxide Based Materials - New sourches, novel phases, new applications
E.Fois, G.Gamba, G.Tabacchi, S.Quartieri, R.Arletti, and G.Vezzalin
“High-pressure behaviour of yugawaralite at different water content: an ad inizio study” ChimPhysChem, 2005, 271-280
Oxide Based Materials - New sourches, novel phases, new applications R.Tubino, E.Fois, A.Gamba, G.Macchi, F.Meinardi, and A.Minoia
“Conjugated molecules in nanochannels: nanoengineering for optoelectronics” ChemPhysChem 2005, 501-510
Ettore Foisa, Aldo Gamba, Cinzia Medici, and Gloria Tabacchi
“Intermolecular Electronic Excitation Transfer in Confined Space: A First-Principles Study” ChemPhysChem 2005,6, 1-7
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