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Browsing by Author Pirani, Fernando

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closedAccessaccesoRestringido.pdf.jpg2009A bond-bond description of the intermolecular interaction energy: The case of the weakly bound acetylene-hydrogen complexThibault, F.; Cappelletti, David; Pirani, Fernando; Bartolomei, Massimiliano  Artículo
closedAccessaccesoRestringido.pdf.jpg2008A bond-bond description of the intermolecular interaction energy: The case of weakly bound N2-H2 and N2-N2 complexesCappelletti, David; Pirani, Fernando; Bussery-Honvault, B.; Gomez, L.; Bartolomei, Massimiliano  Artículo
closedAccessaccesoRestringido.pdf.jpg2012A full dimensional grid empowered simulation of the CO 2 + CO 2 processesBartolomei, Massimiliano  ; Pirani, Fernando; Laganà, Antonio; Lombardi, AndreaArtículo
closedAccessaccesoRestringido.pdf.jpg20-Mar-2017A global optimization perspective on molecular clustersMarques, J.M.C.; Pereira, F. B.; Llanio-Trujillo, J. L.; Abreu, P. E.; Albertí, M.; Aguilar, A.; Pirani, Fernando; Bartolomei, Massimiliano  Artículo
openAccessMBartolomei.pdf.jpg2013A new method for the calculation of the interaction between atoms and small molecules and graphene-based surfacesBartolomei, Massimiliano  ; Carmona-Novillo, Estela ; Campos-Martínez, José ; Pirani, FernandoComunicación de congreso
openAccessMBartolomei0001.pdf.jpg2013Accurate global potentials for the interaction between rare gases and graphene-based surfaces. A joint atom-bond and computational approachBartolomei, Massimiliano  ; Carmona-Novillo, Estela ; Hernández, Marta I. ; Campos-Martínez, José ; Pirani, FernandoPóster
openAccess2013Accurate global potentials for the interaction between rare gases and graphene-based surfaces. A joint atom-bond and computational approachBartolomei, Massimiliano  ; Carmona-Novillo, Estela ; Hernández, Marta I. ; Campos-Martínez, José ; Pirani, FernandoComunicación de congreso
openAccess9-Oct-2014Accurate global potentials for the interaction between rare gases and graphene-based surfaces. Diffraction and quasibound statesBartolomei, Massimiliano  ; Carmona-Novillo, Estela ; Hernández, Marta I. ; Campos-Martínez, José ; Pirani, FernandoPóster
openAccessCoroneneH2N_revised.pdf.jpg5-Sep-2017Adsorption of molecular hydrogen on coronene with a new potential energy surfaceBartolomei, Massimiliano  ; Pérez de Tudela, Ricardo ; Arteaga, Kilian; González-Lezana, Tomás  ; Hernández, Marta I. ; Campos-Martínez, José ; Villarreal, Pablo ; Hernández-Rojas, Javier; Bretón, José; Pirani, FernandoArtículo
openAccessComparative.pdf.jpg18-Jan-2017Comparative investigation of pure and mixed rare gas atoms on coronene moleculesRodríguez-Cantano, Rocío ; Bartolomei, Massimiliano  ; Hernández, Marta I. ; Campos-Martínez, José ; González-Lezana, Tomás  ; Villarreal, Pablo ; Pérez de Tudela, Ricardo ; Pirani, Fernando; Hernández-Rojas, Javier; Bretón, JoséArtículo
openAccessEfficiency.pdf.jpg21-Aug-2015Efficiency of Collisional O2 + N2 Vibrational Energy ExchangeGarcía, E.; Kirnosov, A.; Laganà, A.; Pirani, Fernando; Bartolomei, Massimiliano  ; Cacciatore, M.Artículo
openAccessCO2N2_4.pdf.jpg31-Mar-2016Energy transfer dynamics and kinetics of elementary processes (Promoted) by gas-phase CO2-N2 collisions: selectivity control by the anisotropy of the interactionLombardi, A.; Bartolomei, Massimiliano  ; Pirani, Fernando; Laganà, A.Artículo
openAccessEnhanced.pdf.jpg16-Mar-2016Enhanced flexibility of the O2 + N2 interaction and Its effect on collisional vibrational energy exchangeGarcía, E.; Laganà, A.; Pirani, Fernando; Bartolomei, Massimiliano  ; Cacciatore, M.; Kurnosov, A.Artículo
closedAccessaccesoRestringido.pdf.jpg2013Global potentials for the interaction between rare gases and graphene-based surfaces: An atom-bond pairwise additive representationBartolomei, Massimiliano  ; Carmona-Novillo, Estela ; Hernández, Marta I. ; Campos-Martínez, José ; Pirani, FernandoArtículo
openAccessGraphdiyne.pdf.jpgDec-2014Graphdiyne Pores: “Ad Hoc” Openings for Helium Separation ApplicationsBartolomei, Massimiliano  ; Carmona-Novillo, Estela ; Hernández, Marta I. ; Campos-Martínez, José ; Pirani, Fernando; Giorgi, GiacomoPre-print
openAccessGetPDFServlet.pdf.jpg13-Feb-2007Intermolecular interaction potentials for the Ar–C2H2, Kr–C2H2, and Xe–C2H2 weakly bound complexes: Information from molecular beam scattering, pressure broadening coefficients, and rovibrational spectroscopyCappelletti, David; Bartolomei, Massimiliano  ; Carmona-Novillo, Estela ; Pirani, FernandoArtículo
openAccessLow-energy.pdf.jpg30-Sep-2015Low-energy structures of benzene clusters with a novel accurate potential surfaceBartolomei, Massimiliano  ; Pirani, Fernando; Marques, J.M.C.Artículo
closedAccessaccesoRestringido.pdf.jpg13-Jun-2017Modeling coronene nanostructures: analytical potential, stable configurations and Ab Initio energiesBartolomei, Massimiliano  ; Pirani, Fernando; Marques, J.M.C.Artículo
closedAccessaccesoRestringido.pdf.jpg1999Molecular beam scattering of aligned oxygen molecules. The nature of the bond in the O-2-O-2 dimerAquilanti, Vincenzo; Ascenzi, Daniela; Bartolomei, Massimiliano  ; Cappelletti, David; Cavalli, Simonetta; Castro Vitores, Miguel de; Pirani, FernandoArtículo
closedAccessaccesoRestringido.pdf.jpg5-Feb-2014Penetration barrier of water through graphynes' pores: First-principles predictions and force field optimizationBartolomei, Massimiliano  ; Carmona-Novillo, Estela ; Hernández, Marta I. ; Campos-Martínez, José ; Pirani, Fernando; Giorgi, Giacomo; Yamashita, KoichiArtículo