Ara es mostren els items 21-40 de 52

    • Hydrophobic hydration of the hydrocarbon adamantane in amorphous ice 

      Talewar, Sukhpreet K.; Pardo Soto, Luis Carlos; Headen, Thomas F.; Halukeerthi, Siriney O.; Chikani, Bharvi; Rosu-Finsen, Alexander; Salzmann, Christoph G. (2023-06-19)
      Article
      Accés obert
      The hydrophobic adamantane molecule is fully hydrated through vapour codeposition with water onto a cryogenic substrate and the structure of the first hydration shell is studied with neutron diffraction.
    • Implanted muon spin spectroscopy on 2-O-adamantane: a model system that mimics the liquid 

      Romanini, Michela; Tamarit Mur, José Luis; Pardo Soto, Luis Carlos; Bermejo, F. J.; Fernandez Perea, Ricardo; Pratt, F. L. (2017-03-01)
      Article
      Accés obert
      The transition taking place between two metastable phases in 2-O-adamantane, namely the [Formula: see text] cubic, rotator phase and the lower temperature P21/c, Z  =  4 substitutionally disordered crystal is studied by ...
    • Investigating disordered phases of C2Cl6 using an information theory approach 

      Henao, Andrés; Angulo García, David; Cuello, Gabriel Julio; Negrier, Philippe; Pardo Soto, Luis Carlos (2022-09-15)
      Article
      Accés obert
      Many materials of interest and processes relevant to life are based in disordered phases. This disorder can be either positional, orientational or both as in the case of liquids. Unfortunately, the study of disordered ...
    • Large barocaloric effects in two novel ferroelectric molecular plastic crystals 

      Salvatori, Alejandro; Aguilà Aviles, David; Aromí, Guillem; Mañosa Carrera, Lluis; Planes Vila, Antoni; Lloveras Muntané, Pol Marcel; Pardo Soto, Luis Carlos; Appel, Markus; Nataf, Guillaume F.; Giovannelli, Fabien; Barrio Casado, María del; Tamarit Mur, José Luis; Romanini, Michela (Royal Society of Chemistry (RSC), 2023-05-19)
      Article
      Accés restringit per política de l'editorial
      Materials undergoing pressure-driven solid–solid phase transformations can be a valuable alternative for eco-friendly refrigeration, heat pumping and waste heat recovery based on the barocaloric effect. Ferroelectric ...
    • MateMusiC: mixing maths and music in an interactive show 

      Pardo Soto, Luis Carlos (2023)
      Text en actes de congrés
      Accés obert
      Making maths accessible to the general public and to students is not an easy task, but what happens when you can ¿hear¿ that maths? We present in this article a show performed together with musicians that unravels the ...
    • Microscopic dynamics of glycerol: a QENS study 

      Rovira Esteva, Muriel; Vispa, Alessandro; Ruíz Martín, María Dolores; Busch, Sebastian; Unruh, T.; Pardo Soto, Luis Carlos; Tamarit Mur, José Luis (Institute of Physics (IOP), 2014-01-09)
      Article
      Accés obert
      We report on a quasielastic incoherent neutron scattering (QENS) experiment onliquid glycerol. QENS data were collected at thetemperature T=380 K and witharesolution(FWHM)R=55µeV.The analysis of the quasielastic signal ...
    • Microscopic structures and dynamics of high- and low-density liquid trans-1,2-dichloroethylene 

      Rzosca, S. J.; Cuello, G. J.; Unruh, T.; Smuda, C.; Rovira Esteva, Muriel; Murugan, Natarajan Arul; Pardo Soto, Luis Carlos; Busch, S.; Ruíz Martín, María Dolores; Appavou, M.S.; Tamarit Mur, José Luis; Bermejo, F.J. (2010-03-08)
      Article
      Accés restringit per política de l'editorial
    • Modelling human behaviour in a bumper car ride using molecular dynamics tools: a student project 

      Buendía Morales, Jorge Juan; López Ospina, Hector; Sanchis, Guillem; Pardo Soto, Luis Carlos (2017-05-01)
      Article
      Accés obert
      Amusement parks are excellent laboratories of physics, not only to check physical laws, but also to investigate if those physical laws might also be applied to human behaviour. A group of Physics Engineering students from ...
    • On the atomic structure of cocaine in solution 

      Johnston, Andrew J; Busch, Sebastian; Pardo Soto, Luis Carlos; Callear, Samantha K.; Biggin, Philip C.; McLain, Sylvia E. (2016)
      Article
      Accés obert
      Cocaine is an amphiphilic drug which has the ability to cross the blood–brain barrier (BBB). Here, a combination of neutron diffraction and computation has been used to investigate the atomic scale structure of cocaine in ...
    • On the microscopic mechanism behind the purely orientational disorder-disorder transition in the plastic phase of 1-chloroadamantane 

      Vispa, Alessandro; Monserrat, D.; Cuello, G. J.; Fernandez-Alonso, Felix; Mukhopadhyay, S.; Demmel, F.; Tamarit Mur, José Luis; Pardo Soto, Luis Carlos (2017-08-14)
      Article
      Accés obert
      Globular molecules of 1-chloroadamantane form a plastic phase in which the molecules rotate in a restrained way, but with their centers of mass forming a crystalline ordered lattice. Plastic phases can be regarded as test ...
    • On the microscopic origin of the cryoprotective effect in lysine solutions 

      Henao, Andrés; Ruiz Tabbia, Guadalupe Natalia; Steinke, Nicola; Cerveny Murcia, Silvina; Macovez, Roberto; Busch, Sebastian; McLain, Sylvia E.; Lorenz, Christian D.; Pardo Soto, Luis Carlos (2020-04-07)
      Article
      Accés obert
      The amino acid lysine has been shown to prevent water crystallization at low temperatures in saturated aqueous solutions [S. Cerveny and J. Swenson, Phys. Chem. Chem. Phys., 2014, 16, 22382–22390]. Here, we investigate two ...
    • On the positional and orientational order of water and methanol around indole: a study on the microscopic origin of solubility 

      Henao Aristizábal, Andrés; Johnston, Andrew J; Guàrdia Manuel, Elvira; McLain, Sylvia E.; Pardo Soto, Luis Carlos (2016-09-07)
      Article
      Accés obert
      Although they are both highly polar liquids, there are a number of compounds, such as many pharmaceuticals, which show vastly different solubilities in methanol compared with water. From theories of the hydrophobic effect, ...
    • On the structure of prilocaine in aqueous and amphiphilic solutions 

      Silva-Santisteban López, Alvaro; Steinke, Nicola; Johnston, Andrew J; Ruiz Tabbia, Guadalupe Natalia; Pardo Soto, Luis Carlos; McLain, Sylvia E. (2017-05-28)
      Article
      Accés obert
      The solvation of prilocaine has been investigated in pure water and in an amphiphilic methanol/water solution using a combination of neutron diffraction with isotopic substitution augmented by Empirical Potential Structure ...
    • On the structure of water and chloride ion interactions with a peptide backbone in solution 

      Busch, Sebastian; Pardo Soto, Luis Carlos; O'Dell, William B.; Bruce, Chrystal D.; Lorenz, Christian D.; McLain, Sylvia E. (2013-12-28)
      Article
      Accés restringit per política de l'editorial
      The arrangement of water and chloride ions around a model peptide (glycyl-L-prolyl-glycine-NH2) was investigated using Molecular Dynamics (MD) simulations and complementary Empirical Potential Structure Refinement (EPSR) ...
    • Pendulum dynamics in an amusement park 

      Gurri Pérez, Pol; Amat, David; Espar Masip, Joan; Puig, Jordi; Jiménez Machado, Gerard; Sendra Molins, Lluc; Pardo Soto, Luis Carlos (2017-05-01)
      Article
      Accés obert
      Pendulums have long been used to to determine the kinematics of non-inertial rotating systems. A proper study of this classical mechanical device under the action of a rotating reference frame can fully describe the behavior ...
    • Polymorphism in halogen-ethane derivatives: CCl3-CF2Cl and CF3-CF2Cl 

      Negrier, Philippe; Barrio Casado, María del; Tamarit Mur, José Luis; Pardo Soto, Luis Carlos; Mondieig, Denise (2012-01-03)
      Article
      Accés restringit per política de l'editorial
      Molecular crystals of halogen–ethane derivatives C2X6–nYn (X = Cl, Y = F) are known to display order–disorder phase transitions involving changes of the translational, orientational, and conformational order. The appearance ...
    • Polymorphism with conformational isomerism and incomplete crystallization in solid ethanolamine 

      Romanini, Michela; Negrier, Philippe; Tripathi, Pragya; Gournis, Dimitrios; Lira, Kyriaki-Marina; Barrio Casado, María del; Pardo Soto, Luis Carlos; Tamarit Mur, José Luis; Macovez, Roberto (2019-09-25)
      Article
      Accés obert
      We employ calorimetry, Rietveld refinement of X-ray powder diffraction, broadband dielectric spectroscopy and molecular dynamics simulations, to investigate the phase behavior, crystal structure, dc conductivity and ...
    • Relaxation dynamics vs crystallization kinetics in the amorphous state: the case of Stiripentol 

      Ruiz, Guadalupe N.; Romanini, Michela; Barrio Casado, María del; Tamarit Mur, José Luis; Pardo Soto, Luis Carlos; Macovez, Roberto (2017-11-06)
      Article
      Accés obert
      With the aim of finding a correlation between the crystallization kinetics and the molecular dynamics of a substance that would allow prediction of its crystallization time as a function of temperature for a given a ...
    • Reply to the 'Comment on ''On the positional and orientational order of water and methanol around indole: a study on the microscopic origin of solubility'' 

      Pardo Soto, Luis Carlos; McLain, Sylvia E. (Royal Society of Chemistry (RSC), 2018-09-13)
      Article
      Accés obert
      In his comment on a recent publication by us, G. Graziano claims that solubility differences of indole in methanol and water can be rationalized by the reversible work needed to create a cavity in the solvent of the size ...
    • Role of steric and electrostatic effects in the short-range order of quasitetrahedral molecular liquids 

      Pothoczki, Sz.; Ottochian, A.; Rovira Esteva, Muriel; Pardo Soto, Luis Carlos; Tamarit Mur, José Luis; Cuello, G.J. (2012-01-01)
      Article
      Accés restringit per política de l'editorial
      The study of how both steric and electrostatic interactions affect the structure of liquids formed by quasitetrahedral molecules has been undertaken in this work. We have studied trichlorobromomethane (CBrCl3) and ...