Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
closedAccess | | 2013 | A computer program to evaluate the NVM propagator for rigid asymmetric tops for use in path integral simulations of rigid bodies | McBride, Carl CSIC ORCID; Noya, Eva G. CSIC ORCID; Vega, C. | artículo |
openAccess | | 4-feb-2011 | A quantum propagator for path-integral simulations of rigid molecules | Noya, Eva G. CSIC ORCID; Vega, Carlos; McBride, Carl CSIC ORCID | artículo |
openAccess | | 14-sep-2012 | A 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 models | McBride, Carl CSIC ORCID; Aragonés, J. L.; Noya, Eva G. CSIC ORCID; Vega, Carlos | artículo |
openAccess | | 15-mar-2010 | Can 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 |
closedAccess | | 2007 | Computers and Liquid State Statistical Mechanics | McBride, Carl CSIC ORCID | capítulo de libro |
openAccess | | 14-jun-2013 | Erratum: 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 ORCID | corrigenda |
openAccess | | 22-ene-2010 | Heat capacity of water: A signature of nuclear quantum effects | Vega, 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 |
openAccess | | 14-nov-2013 | Molecular dynamics simulations of the protonated G4 PAMAM dendrimer in an ionic liquid system | Freire, Juan J.; Ahmadi, Amirhossein; McBride, Carl CSIC ORCID | artículo |
closedAccess | | 2014 | Nucleation free-energy barriers with Hybrid Monte-Carlo/Umbrella Sampling | González, M.A.; Sanz, E.; McBride, Carl CSIC ORCID; Abascal, José Luis F.; Vega, C.; Valeriani, C. | artículo |
openAccess | | 18-nov-2011 | Path integral Monte Carlo simulations for rigid rotors and their application to water | Noya, Eva G. CSIC ORCID; Sese, L. M.; Ramírez, Rafael CSIC ORCID; McBride, Carl CSIC ORCID; Conde, María M.; Vega, Carlos | artículo |
openAccess | | 28-jun-2007 | Phase behavior of attractive and repulsive ramp fluids: Integral equation and computer simulation studies | Lomba, Enrique CSIC ORCID ; Almarza, Noé G. CSIC ORCID; Martín, C. CSIC; McBride, Carl CSIC ORCID | artículo |
openAccess | | 22-may-2012 | The phase diagram of water from quantum simulations | McBride, Carl CSIC ORCID; Noya, Eva G. CSIC ORCID; Aragonés, J. L.; Conde, María M.; Vega, Carlos | artículo |