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Ara es mostren els items 105-124 de 155

    • Relationship between the two-component system 1-Br-adamantane + 1-Cl-adamantane and the high-pressure properties of the pure components 

      Barrio Casado, María del; Levit Valenzuela, Rafael; Lloveras Muntané, Pol Marcel; Aznar Luque, Araceli; Negrier, Philippe; Mondieig, Denise; Tamarit Mur, José Luis (2018-03-15)
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      Accés obert
      The temperature-composition phase diagram of the two-component system 1-Br-adamantane and 1-Cl-adamantane has been determined by means of thermal analysis techniques and X-ray powder diffraction from the low-temperature ...

    • 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)
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      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 ...

    • Reversible adiabatic temperature changes at the magnetocaloric and barocaloric effects in Fe49Rh51 

      Stern-Taulats, Enric; Gracia-Condal, Adrià; Planes Vila, Antoni; Lloveras Muntané, Pol Marcel; Barrio Casado, María del; Tamarit Mur, José Luis; Pramanick, Sabyasachi; Majumdar, Subham; Mañosa Carrera, Lluis (2015-10-12)
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      Accés obert
      We report on the adiabatic temperature changes (Delta T) associated with the magnetocaloric and barocaloric effects in a Fe49Rh51 alloy, For the magnetocaloric effect, data derived from entropy curves are compared to direct ...

    • Reversible and irreversible colossal barocaloric effects in plastic crystals 

      Aznar Luque, Araceli; Lloveras Muntané, Pol Marcel; Barrio Casado, María del; Negrier, Philippe; Planes Vila, Antoni; Mañosa Carrera, Lluis; Mathur, N.D.; Moya Raposo, Xavier; Tamarit Mur, José Luis (Royal Society of Chemistry (RSC), 2020)
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      Accés obert
      The extremely large latent heat exchanged in phase transitions involving strong molecular orientational disordering has recently led to the proposal of plastic crystals as a feasible solution for solid-state barocaloric ...

    • Reversible barocaloric effects over a large temperature span in fullerite C60 

      Li, Junning; Dunstan, David; Lou, Xiaojie; Planes Vila, Antoni; Manosa, L; Barrio Casado, María del; Tamarit Mur, José Luis; Lloveras Muntané, Pol Marcel (Royal Society of Chemistry (RSC), 2020-07-31)
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      Accés obert
      Solid-state cooling methods based on field-driven first-order phase transitions are often limited by significant hysteresis and small temperature span, which increase the input work required to drive the cooling cycle ...

    • Reversible colossal barocaloric effects near room temperature in 1-X-adamantane (X=Cl, Br) plastic crystals 

      Aznar Luque, Araceli; Negrier, Philippe; Planes Vila, Antoni; Manosa, L; Stern-Taulats, Enric; Moya Raposo, Xavier; Barrio Casado, María del; Tamarit Mur, José Luis; Lloveras Muntané, Pol Marcel (Elsevier, 2021-06)
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      Accés obert
      Plastic crystals undergo phase transitions with unusually large volume and entropy changes related to strong molecular orientational disordering. These features have led to a resurgent interest in these materials because ...

    • Rimonabant dimorphism and its pressure–temperature phasegiagram: A delicate case of overall monotropic behavior 

      Perrin, Marc-Antoine; Bauer, Michel; Barrio Casado, María del; Tamarit Mur, José Luis; Céolin, René; Rietveld, Ivo B. (2013-05-20)
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      Accés restringit per política de l'editorial
      Crystalline polymorphism occurs frequently in the solid state of active pharmaceutical ingredients, and this is problematic for the development of a suitable dose form. Rimonabant, an active pharmaceutical ingredient ...

    • Role of optical phonons and anharmonicity in the appearance of the heat capacity Boson peak-like anomaly in fully ordered molecular crystals 

      Krivchikov, Alexander; Jezowski, Andrzej; Szewczyk, Daria; Korolyuk, Oksana A.; Romantsova, Olesia O.; Buravtseva, Lubov M.; Cazorla Silva, Claudio; Tamarit Mur, José Luis (2022-06-02)
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      Accés obert
      We demonstrate that the heat capacity Boson peak (BP)-like anomaly appearing in fully ordered anharmonic molecular crystals emerges as a result of the strong interactions between propagating (acoustic) and low-energy ...

    • 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)
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      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 ...

    • SbSeI and SbSeBr micro-columnar solar cells by a novel high pressure-based synthesis process 

      Caño Prades, Ivan; Navarro Güell, Alejandro; Maggi, Edoardo; Barrio Casado, María del; Tamarit Mur, José Luis; Svatek, Simon Aurel; Antolin, Elisa; Yan, Shunya; Barrena Villas, Esther; Galiana Blanco, Beatriz; Placidi, Marcel Jose; Puigdollers i González, Joaquim; Saucedo Silva, Edgardo Ademar (Royal Society of Chemistry (RSC), 2023-07-17)
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      Accés obert
      Van der Waals chalcogenides and chalcohalides have the potential to become the next thin film PV breakthrough, owing to the earth-abundancy and non-toxicity of their components, and their stability, high absorption coefficient ...

    • Scaling the dynamics of orientationally disordered mixed crystals 

      Romanini, Michela; Martínez García, Julio Cesar; Tamarit Mur, José Luis; Rzosca, S. J.; Barrio Casado, María del; Pardo Soto, Luis Carlos; Drozd Rzosca, A. (2009-11-14)
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      Accés restringit per política de l'editorial
      The evolution of the primary relaxation time of orientationally disordered (OD) mixed crystals [(CH3)2C(CH2OH)2]1−X[(CH3)C(CH2OH)3]X, with 0<X ≤ 0.5, on approaching the glass temperature (Tg) is discussed. The application ...

    • Secondary relaxation in the terahertz range in 2-adamantanone from theory and experiments 

      Cui, Bingyu; Gebbia, Jonathan Fernando; Romanini, Michela; Fernandez Perea, Ricardo; Bermejo, F. J.; Tamarit Mur, José Luis; Zaccone, Asessio (American Physical Society (APS), 2020-03-20)
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      Accés obert
      We applied the recently developed Generalized Langevin equation (GLE) approach for dielectric response of liquids and glasses to link the vibrational density of states (VDOS) to the dielectric response of a model orientational ...

    • Self-Diffusion, Phase Behavior, and Li+ Ion Conduction in Succinonitrile-Based Plastic Cocrystals 

      Zachariah, Manesh; Romanini, Michela; Tripathi, Pragya; Barrio Casado, María del; Tamarit Mur, José Luis; Macovez, Roberto (2015-11-11)
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      Accés obert
      We study the temperature-dependent molecular dynamics, ion conduction, and phase behavior of plastic-crystal electrolytes based on the succinonitrile molecule. We employ calorimetry and dielectric spectroscopy to probe ...

    • Short range order of CCl4: RMC and MD methods 

      Silva-Santisteban López, Alvaro; Henao Aristizábal, Andrés; Pothoczki, Szilvia; Bermejo, F. Javier; Tamarit Mur, José Luis; Guàrdia Manuel, Elvira; Cuello, Gabriel Julio; Pardo Soto, Luis Carlos (Institute of Physics (IOP), 2014-01-08)
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      The main objective of this paper is to present a method to fully determine the six degrees of freedom regarding position and orientation of a neighboring molecule around a central one, i.e. the g(rCM,¿) distribution ...

    • Silicon-Chip-Based Dielectric Spectroscopy for Conductivity and Molecular Dynamics Studies of Organic Films 

      Tripathi, Pragya; Gonzalo Ruiz, Javier; Mitsari, Efstratia; Zachariah, Manesh; Romanini, Michela; Tamarit Mur, José Luis; Muñoz Berbel, F. Xavier; Macovez, Roberto (2014-07-29)
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      Accés restringit per política de l'editorial
      Interdigital electrodes fabricated by standard lithography on silicon chips are employed to probe the dipolar molecular dynamics and electric conduction properties of thin rhodamine films grown with two different methods. ...

    • Simultaneous orientational and conformational molecular dynamics in solid 1,1,2-Trichloroethane 

      Romanini, Michela; Mitsari, Efstratia; Tripathi, Pragya; Serra, Pablo; Zuriaga, Jose Mariano; Tamarit Mur, José Luis; Macovez, Roberto (2018-03-15)
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      Accés obert
      The molecular dynamics in the ambient-pressure solid phase of 1,1,2-trichloroethane is studied by means of broadband dielectric spectroscopy and molecular dynamics simulations. The dielectric spectra of polycrystalline ...

    • Solid state stability and solubility of triethylenetetramine dihydrochloride 

      Henriet, Theo; Gana, Inès; Ghaddar, Carine; Barrio Casado, María del; Cartigny, Yohann; Yagoubi, Najet; Do, Bernard; Tamarit Mur, José Luis; Rietveld, Ivo B. (2016-09-10)
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      Accés obert
      The API triethylenetetramine dihydrochloride used as an alternative treatment of Wilson¿s disease is sensitive to water and it exhibits polymorphism. As this may become an issue for the drug formulation, the physical ...

    • Solid-state properties and dehydration behavior of the active pharmaceutical ingredient potassium guaiacol-4-sulfonate 

      Mahé, Nathalie; Nicolai, Beatrice; Barrio Casado, María del; Perrin, Marc Antoine; Do, Bernard; Tamarit Mur, José Luis; Céolin, René; Rietveld, Ivo B. (2013-05-20)
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      Accés restringit per política de l'editorial
      Potassium guaiacolsulfonate is an active pharmaceutical ingredient that has been in use for more than a century, and it is still widely used in cough syrups. Nonetheless, no crystal structure has ever been determined to ...

    • Stability hierarchy between Piracetam forms I, II, and III from experimental pressure–temperature diagrams and topological inferences 

      Toscani, Siro; Céolin, René; Ter Minassian, Leon; Barrio Casado, María del; Veglio, Néstor Raúl; Tamarit Mur, José Luis; Louër, Daniel; Rietveld, Ivo B. (2016-01-30)
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      Accés obert
      The trimorphism of the active pharmaceutical ingredient piracetam is a famous case of polymorphism that has been frequently revisited by many researchers. The phase relationships between forms I, II, and III were ambiguous ...

    • Structure and dynamics of the crystalline stable phase of 2-Chlorothiophene 

      Romanini, Michela; Negrier, Philippe; Barrio Casado, María del; Mondieig, Denise; Serra, Pablo; Zuriaga, Jose Mariano; Macovez, Roberto; Tamarit Mur, José Luis (2019-09-23)
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      Accés obert
      The dynamics of a simple and rigid molecule (2-chlorothiophene) has been studied by means of broadband dielectric spectroscopy (BDS) within the low-temperature stable crystalline phase, whose structure has been determined ...