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DerechosPreviewFecha Public.TítuloAutor(es)Tipo
closedAccessaccesoRestringido.pdf.jpg2013A computer program to evaluate the NVM propagator for rigid asymmetric tops for use in path integral simulations of rigid bodiesMcBride, Carl CSIC ORCID; Noya, Eva G. CSIC ORCID; Vega, C.artículo
openAccessquantum propagator.pdf.jpg4-feb-2011A quantum propagator for path-integral simulations of rigid moleculesNoya, Eva G. CSIC ORCID; Vega, Carlos; McBride, Carl CSIC ORCIDartículo
openAccesstemperature_of_maximum_density.pdf.jpg14-sep-2012A study of the influence of isotopic substitution on the melting point and temperature of maximum density of water by means of path integral simulations of rigid modelsMcBride, Carl CSIC ORCID; Aragonés, J. L.; Noya, Eva G. CSIC ORCID; Vega, Carlosartículo
openAccesshidratos.pdf.jpg15-mar-2010Can gas hydrate structures be described using classical simulations?Conde, María M.; Vega, C.; McBride, Carl CSIC ORCID; Noya, Eva G. CSIC ORCID; Ramírez, Rafael CSIC ORCID; Sese, L. M.artículo
closedAccess2007Computers and Liquid State Statistical MechanicsMcBride, Carl CSIC ORCIDcapítulo de libro
openAccessquantum_propagator.pdf.jpg14-jun-2013Erratum: A quantum propagator for path-integral simulations of rigid molecules (Journal of Chemical Physics (2011) 134 (054117))Noya, Eva G. CSIC ORCID; Vega, Carlos; McBride, Carl CSIC ORCIDcorrigenda
openAccessJChemPhys_132_046101.pdf.jpg22-ene-2010Heat capacity of water: A signature of nuclear quantum effectsVega, C.; Conde, María M.; McBride, Carl CSIC ORCID; Abascal, José Luis F.; Noya, Eva G. CSIC ORCID; Ramírez, Rafael CSIC ORCID; Sesé, Luis M.artículo
openAccessProtonated_G4_PAMAM_Dendrimer.pdf.jpg14-nov-2013Molecular dynamics simulations of the protonated G4 PAMAM dendrimer in an ionic liquid systemFreire, Juan J.; Ahmadi, Amirhossein; McBride, Carl CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2014Nucleation free-energy barriers with Hybrid Monte-Carlo/Umbrella SamplingGonzález, M.A.; Sanz, E.; McBride, Carl CSIC ORCID; Abascal, José Luis F.; Vega, C.; Valeriani, C.artículo
openAccessMonte_Carlo_simulations.pdf.jpg18-nov-2011Path integral Monte Carlo simulations for rigid rotors and their application to waterNoya, Eva G. CSIC ORCID; Sese, L. M.; Ramírez, Rafael CSIC ORCID; McBride, Carl CSIC ORCID; Conde, María M.; Vega, Carlosartículo
openAccessGetPDFServlet.pdf.jpg28-jun-2007Phase behavior of attractive and repulsive ramp fluids: Integral equation and computer simulation studiesLomba, Enrique CSIC ORCID ; Almarza, Noé G. CSIC ORCID; Martín, C. CSIC; McBride, Carl CSIC ORCIDartículo
openAccessphase_diagram_of_water.pdf.jpg22-may-2012The phase diagram of water from quantum simulationsMcBride, Carl CSIC ORCID; Noya, Eva G. CSIC ORCID; Aragonés, J. L.; Conde, María M.; Vega, Carlosartículo