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Llistant per Autor Guàrdia Manuel, Elvira

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Vista preliminarDataTítolAutor(s)
1-gen-2014A continuous mixture of two different dimers in liquid waterPardo Soto, Luis Carlos; Henao Aristizábal, Andrés; Busch, Sebastian; Guàrdia Manuel, Elvira; Tamarit Mur, José Luis
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
1.1305883.pdf.jpgago-2000Dielectric properties of liquid ethanol: a computer simulation studySaiz, L; Guàrdia Manuel, Elvira; Padro Cardenas, Joan Angel
1-mai-1992Dynamical aspects of the Na+ - Cl- ion pair association in waterRey Oriol, Rosendo; 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
jul-2008Exploring the picosecond time domain of the solvation dynamics of coumarin 153 within beta-cyclodextrinsRODRIGUEZ, J; Martí Rabassa, Jordi; Guàrdia Manuel, Elvira; Laria, D
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
ago-1995Ionic association of Na+-Cl-, Na+-Na+ and Cl--Cl- in methanol: mean force potentials and friction kernelsSesé Castel, Gemma; Guàrdia Manuel, Elvira; Padro Cardenas, Joan Angel
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
nov-1996Molecular dynamics simulation of HCl in liquid ArPadro Cardenas, Joan Angel; Guàrdia Manuel, Elvira
jul-1990Molecular dynamics simulation of single ions in aqueous solutions: effects of the flexibility of the water moleculesGuàrdia 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
jun-2009On ion and molecular polarization of halides in waterGuàrdia Manuel, Elvira; Skarmoutsos, I; Masia, M
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