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Journal of chemical physics

Total activitats: 106
Títol addicional
Scitation
ISSN
0021-9606 Obrir en finestra nova
Publicació / Producció
[Woodbury, N.Y.] : American Institute of Physics, 19??-
URL
http://scitation.aip.org/content/aip/journal/jcp Obrir en finestra nova

Producció científica

1 a 50 de 106 resultats
 
  • Ground-state properties of weakly bound helium-alkali trimers

     Stipanovic, P.; Leandra, V.; Zaric, D.; Boronat, J.
    Journal of chemical physics
    Vol. 146, num. 1, p. 1-19
    DOI: 10.1063/1.4973381
    Data de publicació: 2017-01-07
    Article en revista
  • Charting molecular free-energy landscapes with an atlas of collective variables  Accés obert

     Hashemian, B.; Millán, D.; Arroyo, M.
    Journal of chemical physics
    Vol. 145, num. 17, p. 1-33
    DOI: 10.1063/1.4966262
    Data de publicació: 2016-11-07
    Article en revista
    Accés al text complet
  • The structure of molten CuCl: Reverse Monte Carlo modeling with high-energy X-ray diffraction data and molecular dynamics of a polarizable ion model  Accés obert

     Alcaraz, O.; Trullas, J.; Tahara, S.; Kawakita, Y.; Takeda, S.
    Journal of chemical physics
    Vol. 145, num. 9
    DOI: 10.1063/1.4962181
    Data de publicació: 2016-09-07
    Article en revista
    Accés al text complet
  • Orientational relaxations in solid (1,1,2,2)tetrachloroethane  Accés obert

     Tripathi, P.; Mitsari, E.; Romanini, M.; Serra, P.; Tamarit, J. Ll.; Zuriaga, J.; Macovez, R.
    Journal of chemical physics
    Vol. 144, p. 164505-
    DOI: 10.1063/1.4947477
    Data de publicació: 2016
    Article en revista
    Accés al text complet
  • Dynamic characterization of crystalline and glass phases of deuterated 1,1,2,2 tetrachloroethane  Accés obert

     Perez, S.; Zuriaga, J.; Serra, P.; Wolfenson, A.; Negrier, P.; Tamarit, J. Ll.
    Journal of chemical physics
    Vol. 143, num. 13, p. 134502-1-134502-8
    DOI: 10.1063/1.4931824
    Data de publicació: 2015-10-07
    Article en revista
    Accés al text complet
  • Thermal properties of halogen-ethane glassy crystals: Effects of orientational disorder and the role of internal molecular degrees of freedom  Accés obert

     Vdovichenko, G. A; Krivchikov, A.; Korolyuk, O.; Tamarit, J. Ll.; Pardo, L.; Rovira-Esteva, M.; Bermejo, F.; Hassaine, M.; Ramos, M.
    Journal of chemical physics
    Vol. 143, num. 8, p. 084510-1-084510-10
    DOI: 10.1063/1.4929530
    Data de publicació: 2015-08-28
    Article en revista
    Accés al text complet
  • Quantum Monte Carlo estimation of complex-time correlations for the study of the ground-state dynamic structure function  Accés obert

     Rota, R.; Casulleras, J.; Mazzanti, F.; Boronat, J.
    Journal of chemical physics
    Vol. 142, num. 11, p. 1-12
    DOI: 10.1063/1.4914995
    Data de publicació: 2015-03-21
    Article en revista
    Accés al text complet
  • Topological obstructions in the way of data-driven collective variables  Accés obert

     Hashemian, B.; Arroyo, M.
    Journal of chemical physics
    Vol. 142, num. 4, p. 044102-1-044102-6
    DOI: 10.1063/1.4906425
    Data de publicació: 2015-01-28
    Article en revista
    Accés al text complet
  • Single ion dynamics in molten sodium bromide

     Alcaraz, O.; Demmel, F.; Trullas, J.
    Journal of chemical physics
    Vol. 141, num. 24, p. 1
    DOI: 10.1063/1.4904821
    Data de publicació: 2014-12-28
    Article en revista
  • Diffusion and spectroscopy of water and lipids in fully hydrated dimyristoylphosphatidylcholine bilayer membranes  Accés obert

     Yang, J.; Calero, C.; Marti, J.
    Journal of chemical physics
    Vol. 140, num. 10, p. 104901-1-104901-13
    DOI: 10.1063/1.4867385
    Data de publicació: 2014-03-10
    Article en revista
    Accés al text complet
  • Spin-polarized hydrogen adsorbed on the surface of superfluid He-4  Accés obert

     Marín, J.; Leandra, V.; Boronat, J.
    Journal of chemical physics
    Vol. 139, num. 22, p. 224708-1-224708-7
    DOI: 10.1063/1.4843375
    Data de publicació: 2013-12-14
    Article en revista
    Accés al text complet
  • Shortcomings of the standard Lennard-Jones dispersion term in water models, studied with force matching  Accés obert

     Nicolini, P.; Guardia, E.; Masia, M.
    Journal of chemical physics
    Vol. 139, num. 18, p. 184111-1-184111-5
    DOI: 10.1063/1.4829444
    Data de publicació: 2013-11-14
    Article en revista
    Accés al text complet
  • Features in chemical kinetics. II. A self-emerging definition of slow manifolds

     Nicolini, P.; Frezzato, D.
    Journal of chemical physics
    Vol. 138, num. 23, p. 1-14
    DOI: 10.1063/1.4809593
    Data de publicació: 2013-06-21
    Article en revista
  • Features in chemical kinetics. I. Signatures of self-emerging dimensional reduction from a general format of the evolution law

     Nicolini, P.; Frezzato, D.
    Journal of chemical physics
    num. 138, p. 234101-1-234101-16
    DOI: 10.1063/1.4809592
    Data de publicació: 2013-06-17
    Article en revista
  • Size effects on water adsorbed on hydrophobic probes at the nanometric scale  Accés obert

     Calero, C.; Gordillo, C.; Marti, J.
    Journal of chemical physics
    Vol. 138, num. 21, p. 214702-1-214702-8
    DOI: 10.1063/1.4807092
    Data de publicació: 2013-06-03
    Article en revista
    Accés al text complet
  • Speeding chemical reactions by focusing  Accés obert

     Lacasta, A.M; Ramirez de La Piscina, L.; Sancho, J M; Lindenberg, K.
    Journal of chemical physics
    Vol. 138, num. 14, p. 1-9
    DOI: 10.1063/1.4799875
    Data de publicació: 2013-04-11
    Article en revista
    Accés al text complet
  • Tricritical behavior of the nematic to smectic-A phase transition in the binary mixture of liquid crystal

     Mukherjee, P.; Tamarit, J. Ll.
    Journal of chemical physics
    Vol. 138, num. 10, p. 104906-1-104906-6
    DOI: 10.1063/1.4794312
    Data de publicació: 2013-03-14
    Article en revista
  • Modeling and enhanced sampling of molecular systems with smooth and nonlinear data-driven collective variables  Accés obert

     Hashemian, B.; Millán, D.; Arroyo, M.
    Journal of chemical physics
    Vol. 139, p. 214101-214101-12
    DOI: 10.1063/1.4830403
    Data de publicació: 2013
    Article en revista
    Accés al text complet
  • Excess protons in mesoscopic water-acetone nanoclusters  Accés obert

     Semino, R.; Marti, J.; Guardia, E.; Laria, D.
    Journal of chemical physics
    Vol. 137, num. 19, p. 1-8
    DOI: 10.1063/1.4766201
    Data de publicació: 2012-11-19
    Article en revista
    Accés al text complet
  • Rotational dynamics of a dipolar supercooled liquid  Accés obert

     Sese, G.; Ortiz de Urbina, J.; Palomar, R.
    Journal of chemical physics
    Vol. 137, num. 11, p. 1-6
    DOI: 10.1063/1.4752426
    Data de publicació: 2012-09-17
    Article en revista
    Accés al text complet
  • Dynamic heterogeneity in the glass-like monoclinic phases of CBr nCl 4-n, n 0,1,2

     Zuriaga, J.; Perez, S.; Pardo, L.; Tamarit, J. Ll.
    Journal of chemical physics
    Vol. 137, num. 5, p. 1-9
    DOI: 10.1063/1.4739531
    Data de publicació: 2012-08-07
    Article en revista
  • Disentangling molecular motions involved in the glass transition of a twist-bend nematic liquid crystal through dielectric studies

     Lopez, D.; Sebastian-Gallés, N.; de la Fuente, M.; Martinez, J.; Salud, J.; Pérez, M.; Diez, S.; Dunmur, D.; Luckhurst, G.
    Journal of chemical physics
    Vol. 137, p. 1-10
    DOI: 10.1063/1.4733561
    Data de publicació: 2012-07-17
    Article en revista
  • Differences in first neighbor orientation behind the anomalies in the low and high density trans-1,2-dichlorothene liquid

     Rovira, M.; Murugan, N.; Pardo, L.; Busch, S.; Tamarit, J. Ll.; Cuello, G. J.; Bermejo, F.
    Journal of chemical physics
    Vol. 134, num. 12, p. 124514-1-124541-7
    DOI: 10.1063/1.3697849
    Data de publicació: 2012-03-28
    Article en revista
  • Fitting properties from density functional theory based molecular dynamics simulations to parameterize a rigid water force field

     Sala Viñas, J.; Guardia, E.; Marti, J.; Spangberg, D.; Masia, M.
    Journal of chemical physics
    Vol. 136, num. 5, p. 054103-1-054103-10
    DOI: 10.1063/1.3679402
    Data de publicació: 2012-02-02
    Article en revista
  • Communication: Are metallic glasses different from other glasses? A closer look at their high frequency dynamics

     Bruna, P.; Baldi, G.; Pineda, E.; Serrano, J.; Suck, J.; Crespo, D.; Monaco, G.
    Journal of chemical physics
    Vol. 135, num. 10, p. 1-4
    DOI: 10.1063/1.3640002
    Data de publicació: 2011-09-14
    Article en revista
  • Aqueous electrolytes confined within functionalized silica nanopores  Accés obert

     Videla, P.; Marti, J.; Guardia, E.; Laria, D.; Sala, J.
    Journal of chemical physics
    Vol. 135, num. 10, p. 104503-1-104503-6
    DOI: 10.1063/1.3632050
    Data de publicació: 2011-09-09
    Article en revista
    Accés al text complet
  • Prevalence for the universal distribution of relaxation times near the glass transitions in experimental model systems: Rodlike liquid crystals and orientationally disordered crystals

     Martínez, J.; Tamarit, J. Ll.; Rzoska, S.J.
    Journal of chemical physics
    Vol. 134, num. 14, p. 144505-144505-4
    DOI: 10.1063/1.3576152
    Data de publicació: 2011-04-13
    Article en revista
  • Ground state of small mixed helium and spin-polarized tritium clusters: A quantum Monte Carlo study

     Stipanovic, P.; Markic, L.; Boronat, J.; Kezic, B.
    Journal of chemical physics
    Vol. 134, num. 5, p. 054509-1-054509-8
    DOI: 10.1063/1.3530837
    Data de publicació: 2011-02-07
    Article en revista
  • A polarizable ion model for the structure of molten CuI  Accés obert

     Bitrián, V.; Alcaraz, O.; Trullas, J.
    Journal of chemical physics
    Vol. 134, num. 4, p. 044501-1-044501-6
    DOI: 10.1063/1.3525461
    Data de publicació: 2011-01-24
    Article en revista
    Accés al text complet
  • Enthalpy space analysis of the evolution of the primary relaxation time in ultraslowing systems

     Martinez, J.; Tamarit, J. Ll.; Rzoska, S.J.
    Journal of chemical physics
    Vol. 134, num. 2, p. 024512-1-024512-7
    DOI: 10.1063/1.3514589
    Data de publicació: 2011-01-14
    Article en revista
  • The structure of molten AgCl, AgI and their eutectic mixture as studied by molecular dynamics simulations of polarizable ion model potentials

     Alcaraz, O.; Bitrián, V.; Trullas, J.
    Journal of chemical physics
    Vol. 134, p. 014505-014505-9
    DOI: 10.1063/1.3506867
    Data de publicació: 2011-01-05
    Article en revista
  • The polarizable point dipoles method with electrostatic damping: implementation on a model system

     Guardia, E.; Masia, M.; Sala, J.
    Journal of chemical physics
    Vol. 133, num. 23, p. 1-14
    DOI: 10.1063/1.3511713
    Data de publicació: 2010-12-21
    Article en revista
  • Microscopic dynamics of supercooled low weight alcohols

     Palomar, R.; Sese, G.
    Journal of chemical physics
    Vol. 133, num. 4, p. 044501-044508
    DOI: 10.1063/1.3466749
    Data de publicació: 2010-07-28
    Article en revista
  • Effects of concentration on structure, dielectric, and dynamic properties of aqueous NaCl solutions using a polarizable model

     Sala, J.; Guardia, E.; Marti, J.
    Journal of chemical physics
    Vol. 132, num. 21, p. 214505-1-214505-11
    DOI: 10.1063/1.3429253
    Data de publicació: 2010-06-03
    Article en revista
  • a-relaxation dynamics of orientationally disordered mixed crystals composed of Cl-adamantane and CN-adamantane

     Martinez, J.; Tamarit, J. Ll.; Capaccioli, S.; Del Barrio, M.; Veglio, N.; Pardo, L.
    Journal of chemical physics
    Vol. 132, num. 16, p. 164516/1-164516/10
    DOI: 10.1063/1.3397997
    Data de publicació: 2010-04-29
    Article en revista
  • The longitudinal optic-like mode in molten alkali halides: A molecular dynamics approximation to inelastic x-ray scattering experiments

     Alcaraz, O.; Trullas, J.
    Journal of chemical physics
    Vol. 132, num. 054503, p. 1-10
    DOI: 10.1063/1.3298863
    Data de publicació: 2010-02-07
    Article en revista
  • Effect of the local hydrogen bonding network on the reorientational and translational dynamics in supercritical water  Accés obert

     Skarmoutsos, I.; Guardia, E.
    Journal of chemical physics
    Vol. 132, num. 7, p. 1-10
    DOI: 10.1063/1.3305326
    Data de publicació: 2010-02
    Article en revista
    Accés al text complet
  • Scaling the dynamics of orientationally disordered mixed crystals

     Romanini, M.; Martinez, J.; Tamarit, J. Ll.; Rzoska, S.J.; Del Barrio, M.; Pardo, L.; Drozd-Rzoska, A.
    Journal of chemical physics
    Vol. 131, num. 18, p. 184504-1-184504-6
    DOI: 10.1063/1.3254207
    Data de publicació: 2009-11-14
    Article en revista
  • Is there a common orientational order for the liquid phase of tetrahedral molecules?

     Rey, R.
    Journal of chemical physics
    Vol. 131, num. 6, p. 4502
    DOI: 10.1063/1.3204467
    Data de publicació: 2009-08
    Article en revista
  • Analysis of the nucleotide-dependent conformations of kinesin-1 in the hydrolysis cycle

     Alvarez, A.; Sancho, J M
    Journal of chemical physics
    Vol. 131, num. 1, p. 5104-5113
    Data de publicació: 2009-07
    Article en revista
  • Static dielectric properties of polarizable ion models: Molecular dynamics study of molten AgI and NaI

     Bitrián, V.; Alcaraz, O.; Trullas, J.
    Journal of chemical physics
    Vol. 130, p. 234504-1-234504-10
    DOI: 10.1063/1.3152241
    Data de publicació: 2009-06
    Article en revista
  • High order Chin actions in path integral Monte Carlo

     Sakkos, C.; Casulleras, J.; Boronat, J.
    Journal of chemical physics
    Vol. 130, num. 204109, p. 1-10
    DOI: 10.1063/1.3143522
    Data de publicació: 2009-05
    Article en revista
  • Quantum Monte Carlo study of large spin-polarized tritium clusters  Accés obert

     Be¿li¿, I.; Vranje¿, L.; Boronat, J.
    Journal of chemical physics
    Vol. 131, num. 24, p. 1-6
    DOI: 10.1063/1.3275520
    Data de publicació: 2009
    Article en revista
    Accés al text complet
  • Thermodynamic state dependence of orientational order and rotational relaxation in carbon tetrachloride

     Rey, R.
    Journal of chemical physics
    Vol. 129, num. 224509, p. 1
    DOI: 10.1063/1.3039514
    Data de publicació: 2008-12
    Article en revista
  • Study of spatial correlations in a supercooled molecular system

     Palomar, R.; Sese, G.
    Journal of chemical physics
    Vol. 129, num. 6, p. 45051-45059
    DOI: 10.1063/1.2965878
    Data de publicació: 2008-08
    Article en revista
  • Coarse graining of master equations with fast and slow states

     Pigolotti, S.; Vulpiani, A.
    Journal of chemical physics
    Vol. 128, p. 154114-1-154114-8
    DOI: 10.1063/1.2907242
    Data de publicació: 2008-04-18
    Article en revista
  • Quantum Monte Carlo study of small pure and mixed spin-polarized tritium clusters

     Markic, L.; Beslic, I.; Boronat, J.
    Journal of chemical physics
    Vol. 128, num. 6, p. 64302
    DOI: 10.1063/1.2827119
    Data de publicació: 2008-02
    Article en revista
  • Numerical study of A+A->0 and A+B->0 reactions with inertia

     Romero, A.; Lacasta, A.M; Sancho, J M; Lindenberg, K.
    Journal of chemical physics
    Vol. 127, num. 17, p. 1-7
    DOI: 10.1063/1.2779327
    Data de publicació: 2007-11
    Article en revista
  • Molecular dynamics study of polarizable point dipole models for molten sodium iodide

     Alcaraz, O.; Bitrián, V.; Trullas, J.
    Journal of chemical physics
    Vol. 127, num. 15, p. 154508-1-154508-10
    DOI: 10.1063/1.2794044
    Data de publicació: 2007-10
    Article en revista
  • Correlated atomic motions in liquid deuterium fluoride studied by coherent quasielastic neutron scattering

     Fernández-Alonso, F.; McLain, S.; Taylor, J.; Bermejo, F.; Bustinduy, I.; Ruiz, M.; Turner, J.
    Journal of chemical physics
    Vol. 126, num. 2345, p. 9-16
    Data de publicació: 2007-06
    Article en revista