DSpace DSpace UPC
 Català   Castellano   English  

E-prints UPC >

Llistant per Autor Guàrdia Manuel, Elvira

Saltar a: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
O introdueix les primeres lletres:   
Ordenar per: En ordre: Resultats/Pàgina Autors/Registre:
Mostrant resultats 1 a 15 de 15
Vista preliminarDataTítolAutor(s)
JChemPhys_135_104503.pdf.jpg9-set-2011Aqueous electrolytes confined within functionalized silica nanoporesVidela, Pablo; Sala Viñas, Jonàs; Martí Rabassa, Jordi; Guàrdia Manuel, Elvira; Laria, Daniel
15-feb-2012Aqueous halide potentials from force matching of Car-Parrinello dataSpangberg, Daniel; Guàrdia Manuel, Elvira; Masia, Marco
17-set-2013Characterization of the methane–graphene hydrophobic interaction in aqueous solution from ab initio simulationsCalero Borrallo, Carles; Martí Rabassa, Jordi; Guàrdia Manuel, Elvira; Masia, Marco
gen-1991Computer simulation of liquid methanol ii:system size effectsCasulleras Ambrós, Joaquín; Guàrdia Manuel, Elvira
http___scitation.aip.org_getpdf_servlet_GetPDFServlet_filetype=pdf&id=JCPSA6000132000007074502000001&idtype=cvips&prog=normal&doi=10.1063_1.pdf.jpgfeb-2010Effect of the local hydrogen bonding network on the reorientational and translational dynamics in supercritical waterSkarmoutsos, Ioannis; Guàrdia Manuel, Elvira
3-jun-2010Effects of concentration on structure, dielectric, and dynamic properties of aqueous NaCl solutions using a polarizable modelSala Viñas, Jonàs; Guàrdia Manuel, Elvira; Martí Rabassa, Jordi
http---scitation.aip.org-getpdf-servlet-GetPDFServlet?filetype=pdf&id=JCPSA6000137000019194301000001&idtype=cvips&doi=10.1063-1.pdf.jpg19-nov-2012Excess protons in mesoscopic water-acetone nanoclustersSemino, Rocío; Martí Rabassa, Jordi; Guàrdia Manuel, Elvira; Laria, Daniel
2-feb-2012Fitting properties from density functional theory based molecular dynamics simulations to parameterize a rigid water force fieldSala Viñas, Jonàs; Guàrdia Manuel, Elvira; Martí Rabassa, Jordi; Spangberg, Daniel; Masia, Marco
set-2011Improving the force matching algorithm: Application to a simple point charge flexible model of waterSala Viñas, Jonàs; Guàrdia Manuel, Elvira; Masia, Marco
2009Local structural effects and related dynamics in supercritical ethanol. 1. Mechanisms of local density reorganization and residence dynamicsSkarmoutsos, Ioannis; Guàrdia Manuel, Elvira
2009Local structural effects and related dynamics in supercritical ethanol. 2. Hydrogen-bonding network and its effect on single reorientational dynamicsSkarmoutsos, Ioannis; Guàrdia Manuel, Elvira
e031606.pdf.jpgmar-2009Molecular dynamics simulations of supercritical water confined within a carbon-slit poreMartí Rabassa, Jordi; Sala Viñas, Jonàs; Guàrdia Manuel, Elvira; Gordillo Bargueño, Maria Carmen
1.4829444.pdf.jpg14-nov-2013Shortcomings of the standard Lennard-Jones dispersion term in water models, studied with force matchingNicolini, Paolo; Guàrdia Manuel, Elvira; Masia, Marco
14-ago-2012Specific ion effects in aqueous eletrolyte solutions confined within graphene sheets at the nanometric scaleSala Viñas, Jonàs; Guàrdia Manuel, Elvira; Martí Rabassa, Jordi
15-ago-2014The force matching approach to multiscale simulations: merits, shortcomings, and future perspectivesMasia, Marco; Guàrdia Manuel, Elvira; Nicolini, Paolo
Mostrant resultats 1 a 15 de 15

 

Valid XHTML 1.0! Programari DSpace Copyright © 2002-2004 MIT and Hewlett-Packard Comentaris
Universitat Politècnica de Catalunya. Servei de Biblioteques, Publicacions i Arxius