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Journal of physical chemistry B

Total activitats: 112
ISSN
1520-6106
Editorial
American Chemical Society (ACS)

Producció científica

1 a 50 de 112 resultats
 
  • Solvation dynamics in liquid water: III: energy fluxes and structural changes

     Rey, R.; Hynes, J.
    Journal of physical chemistry B
    Vol. 121, num. 6, p. 1377-1385
    DOI: 10.1021/acs.jpcb.6b11805
    Data de publicació: 2017-02-16
    Article en revista
  • Solvation dynamics in water: 2. Energy fluxes on excited- and ground-state surfaces  Accés obert

     Rey, R.; Hynes, J.
    Journal of physical chemistry B
    Vol. 120, num. 43, p. 11287-11297
    DOI: 10.1021/acs.jpcb.6b08965
    Data de publicació: 2016-11-03
    Article en revista
    Accés al text complet
  • Modeling of the Sub-Tg Relaxation Spectrum of Pd42.5Ni7.5Cu30P20 Metallic Glass  Accés obert

     Liu, C.; Pineda, E.; Crespo, D.; Qiao, J.
    Journal of physical chemistry B
    Vol. 120, p. 2838-2844
    DOI: 10.1021/acs.jpcb.5b11754
    Data de publicació: 2016-03-17
    Article en revista
    Accés al text complet
  • Hydrogen bonding and related properties in liquid water: a Car-Parrinello molecular dynamics simulation study  Accés obert

     Guardia, E.; Skarmoutsos, I.; Masia, M.
    Journal of physical chemistry B
    Vol. 119, num. 29, p. 8926-8938
    DOI: 10.1021/jp507196q
    Data de publicació: 2015-07-23
    Article en revista
    Accés al text complet
  • Amphipathic solvation of indole: implications for the role of tryptophan in membrane proteins  Accés obert

     Johnston, A.; Zhang, Y.; Busch, S.; Pardo, L.; Imberti, S.; McLain, S.
    Journal of physical chemistry B
    Vol. 119, num. 19, p. 5979-5987
    DOI: 10.1021/acs.jpcb.5b02476
    Data de publicació: 2015-05-14
    Article en revista
    Accés al text complet
  • Biomimetic monolayer films of monogalactosyldiacylglycerol incorporating plastoquinone

     Hoyo, J.; Guaus, E.; Torrent, J.; Torrent-Burgués, J.; Sanz, Fausto
    Journal of physical chemistry B
    Vol. 119, num. 20, p. 6170-6178
    DOI: 10.1021/acs.jpcb.5b02196
    Data de publicació: 2015-05-01
    Article en revista
  • Solvation dynamics in liquid water: 1: ultrafast energy fluxes  Accés obert

     Rey, R.; Hynes, J.
    Journal of physical chemistry B
    Vol. 119, num. 24, p. 7558-7570
    DOI: 10.1021/jp5113922
    Data de publicació: 2015-01-30
    Article en revista
    Accés al text complet
  • 1H nuclear spin relaxation of liquid water from molecular dynamics simulations

     Calero, C.; Marti, J.; Guardia, E.
    Journal of physical chemistry B
    Vol. 119, num. 5, p. 1966-1973
    DOI: 10.1021/jp510013q
    Data de publicació: 2015-01-13
    Article en revista
  • Short-range interactions of concentrated proline in aqueous solution

     Busch, S.; Lorenz, C.; Taylor, J.; Pardo, L.; McLain, S.
    Journal of physical chemistry B
    Vol. 118, num. 49, p. 14267-14277
    DOI: 10.1021/jp508779d
    Data de publicació: 2014-12-11
    Article en revista
  • Polyaniline emeraldine salt in the amorphous solid state: polaron versus bipolaron

     Canales, M.; Torras, J.; Fabregat, G.; Meneguzzi, A.; Aleman, C.
    Journal of physical chemistry B
    Vol. 118, num. 39, p. 11552-11562
    DOI: 10.1021/jp5067583
    Data de publicació: 2014-09-19
    Article en revista
  • Polymorphism in 2-X-Adamantane Derivatives (X = Cl, Br)

     Negrier, P.; Del Barrio, M.; Tamarit, J. Ll.; Mondieig, D.
    Journal of physical chemistry B
    Vol. 118, num. 32, p. 9595-9603
    DOI: 10.1021/jp505280d
    Data de publicació: 2014-08-14
    Article en revista
  • Restricted puckering of mineralized RNA-like riboses

     Casanovas Salas, Jordi; Revilla-López, G.; Bertran, O.; del Valle, LJ.; Turon, P.; Puiggali, J.; Aleman, C.
    Journal of physical chemistry B
    Vol. 118, num. 19, p. 5075-5081
    DOI: 10.1021/jp501714q
    Data de publicació: 2014-05-15
    Article en revista
  • Selective detection of dopamine combining multilayers of conducting polymers with gold nanoparticles

     Fabregat, G.; Armelin, E.; Aleman, C.
    Journal of physical chemistry B
    Vol. 118, num. 17, p. 4669-4682
    DOI: 10.1021/jp412613g
    Data de publicació: 2014-05-01
    Article en revista
  • Detection of dopamine using chemically synthesized multilayered hollow microspheres

     Fabregat, G.; Estrany, F.; Casas, M.; Aleman, C.; Armelin, E.
    Journal of physical chemistry B
    Vol. 118, num. 17, p. 4702-4709
    DOI: 10.1021/jp500959j
    Data de publicació: 2014-05-01
    Article en revista
  • Molecular dynamics simulation study of methanesulfonic acid

     Canales, M.; Aleman, C.
    Journal of physical chemistry B
    Vol. 118, num. 12, p. 3423-3430
    DOI: 10.1021/jp500817s
    Data de publicació: 2014-03-04
    Article en revista
  • Measuring the proton conductivity of ion-exchange membranes using electrochemical impedance spectroscopy and Through-Plane cell

     Muller, F.; Ferreira, C.A.; Azambuja, D.; Aleman, C.; Armelin, E.
    Journal of physical chemistry B
    Vol. 118, num. 4, p. 1102-1112
    DOI: 10.1021/jp409675z
    Data de publicació: 2014-01-30
    Article en revista
  • Overall dielectric study on the odd members of a highly nonsymmetric pyrene-based series of liquid crystal dimers

     Sebastian, N.; de la Fuente, M.; Lopez, D.; Pérez, M.; Salud, J.; Ros, M.
    Journal of physical chemistry B
    Vol. 117, num. 46, p. 14486-14496
    DOI: 10.1021/jp406085r
    Data de publicació: 2013-10-28
    Article en revista
  • Determination of new Cu+, Cu2+, and Zn2+ Lennard-Jones ion parameters in acetonitrile

     Torras, J.; Aleman, C.
    Journal of physical chemistry B
    Vol. 117, num. 36, p. 10513-10522
    DOI: 10.1021/jp402545g
    Data de publicació: 2013-08-14
    Article en revista
  • Incorporation of ubiquinone in supported lipid bilayers on ITO

     Hoyo, J.; Guaus, E.; Oncins, Gerard; Torrent, J.; Torrent-Burgués, J.; Sanz, Fausto
    Journal of physical chemistry B
    Vol. 117, num. 25, p. 7498-7506
    DOI: 10.1021/jp4004517
    Data de publicació: 2013-05-31
    Article en revista
  • Computer simulation of fifth generation dendronized polymers: impact of charge on internal organization

     Bertran, O.; Zhang , B.; Schlüter, A.; Kröger , M.; Aleman, C.
    Journal of physical chemistry B
    Vol. 117, num. 19, p. 6007-6017
    DOI: 10.1021/jp402695g
    Data de publicació: 2013-05-16
    Article en revista
  • Ultrafast librational relaxation of H2O in liquid water

     Petersen, J.; Moller, K.B.; Rey, R.; Hynes, J.
    Journal of physical chemistry B
    Vol. 117, num. 16, p. 4541-4552
    DOI: 10.1021/jp308648u
    Data de publicació: 2013-04-25
    Article en revista
  • Conformational Exploration of Two Peptides and Their Hybrid Polymer Conjugates: Potentialities As Self-Aggregating Materials

     Haspel; Laurent, A.; Zanuy, D.; Nussinov, R.; Aleman, C.; Puiggali, J.; Revilla-López, G.
    Journal of physical chemistry B
    Vol. 116, num. 48, p. 13941-13952
    DOI: 10.1021/jp3043363
    Data de publicació: 2012-12-06
    Article en revista
  • Factors governing the conformational tendencies of Ca- ethylated a-amino acids: Chirality and side-chain size effects

     Casanovas Salas, Jordi; Revilla-López, G.; Crisma, M.; Toniolo, C.; Aleman, C.
    Journal of physical chemistry B
    Vol. 116, num. 45, p. 13297-13307
    DOI: 10.1021/jp3045115
    Data de publicació: 2012-11-15
    Article en revista
  • New Sulfonated Polystyrene and Styrene–Ethylene/Butylene–Styrene Block Copolymers for Applications in Electrodialysis

     Muller, F.; Ferreira, C.A.; Franco, M.; Puiggali, J.; Aleman, C.; Armelin, E.
    Journal of physical chemistry B
    Vol. 116, num. 38, p. 11767-11779
    DOI: 10.1021/jp3068415
    Data de publicació: 2012-09
    Article en revista
  • Overall stability for the ibuprofen racemate: experimental and topological results leading to the pressure-temperature phase relationships between its racemate and conglomerate

     Rietveld, I.; Del Barrio, M.; Do, B.; Tamarit, J. Ll.; Céolin, R.
    Journal of physical chemistry B
    Vol. 116, num. 18, p. 5568-5574
    DOI: 10.1021/jp302508g
    Data de publicació: 2012-05-10
    Article en revista
  • Controlling the morphology of poly(N -cyanoethylpyrrole)

     Fabregat, G.; Aleman, C.; Casas, M.; Armelin, E.
    Journal of physical chemistry B
    Vol. 116, num. 16, p. 5064-5070
    DOI: 10.1021/jp3008688
    Data de publicació: 2012-04-26
    Article en revista
  • Response of crown ether functionalized polythiophenes to alkaline ions  Accés obert

     Zanuy, D.; Preat, J.; Perpete, E.; Aleman, C.
    Journal of physical chemistry B
    Vol. 116, num. 15, p. 4575-4583
    DOI: 10.1021/jp209959a
    Data de publicació: 2012-04-19
    Article en revista
    Accés al text complet
  • Water absorbed by polyaniline emeraldine tends to organize, forming nanodrops

     Casanovas Salas, Jordi; Canales, M.; Fabregat, G.; Aleman, C.; Meneguzzi, A.
    Journal of physical chemistry B
    Vol. 116, num. 24, p. 7342-7350
    DOI: 10.1021/jp300426b
    Data de publicació: 2012
    Article en revista
  • Enantiomer resolution by pressure increase: inferences from experimental and topological results for the binary enantiomer system (R)- and (S)-mandelic acid

     Rietveld, I.; Del Barrio, M.; Tamarit, J. Ll.; Do, B.; Céolin, R.
    Journal of physical chemistry B
    Vol. 115, num. 49, p. 14698-14703
    DOI: 10.1021/jp209328d
    Data de publicació: 2011-11-02
    Article en revista
  • Dielectric and Thermodynamic Study on the Liquid Crystal Dimer alpha-(4-Cyanobipheny1-4 '-oxy)-omega-(1-pyreniminebenzylidene-4 '-oxy) undecane (CBO11O center dot Py)

     Sebastian, N.; de la Fuente, M.; Lopez, D.; Pérez, M.; Salud, J.; Diez, S.; Ros, M.
    Journal of physical chemistry B
    Vol. 115, num. 32, p. 9766-9775
    DOI: 10.1021/jp202796y
    Data de publicació: 2011-08-18
    Article en revista
  • Modeling the tetraphenylalanine-PEG hybrid amphiphile: from DFT calculations on the peptide to molecular dynamics simulations on the conjugate

     Zanuy, D.; Hamley, .; Aleman, C.
    Journal of physical chemistry B
    Vol. 115, num. 28, p. 8937-8946
    DOI: 10.1021/jp2031187
    Data de publicació: 2011-07-21
    Article en revista
  • Structural and Electronic Properties of Poly[N-(2-cyanoalkyl)pyrrole]s Bearing Small Alkyl Groups

     Aradilla, D.; Torras, J.; Aleman, C.
    Journal of physical chemistry B
    Vol. 115, num. 12, p. 2882-2889
    DOI: 10.1021/jp200257c
    Data de publicació: 2011-03-31
    Article en revista
  • Key building block of photoresponsive biomimetic systems

     Revilla-López, G.; Laurent,, A.; Perpete, E.; Jacquemin, D.; Torras, J.; Assfeld, X.; Aleman, C.
    Journal of physical chemistry B
    Vol. 115, num. 5, p. 1232-1242
    DOI: 10.1021/jp108341a
    Data de publicació: 2011-02-10
    Article en revista
  • From figh-temperature orientationally disordered mixed crystals to low-temperature complex formation in the two-component system (CH3)3CBr + Cl3CBr

     Del Barrio, M.; Tamarit, J. Ll.; Mondieig, D.; Negrier, P.
    Journal of physical chemistry B
    Vol. 115, num. 7, p. 1679-1688
    DOI: 10.1021/jp109702t
    Data de publicació: 2011-02-02
    Article en revista
  • Topological and experimental approach to the pressure-temperature-composition phase diagram of the binary enantiomer system d- and I-camphor

     Rietveld, I.; Del Barrio, M.; Espeau, P.; Tamarit, J. Ll.; Céolin, R.
    Journal of physical chemistry B
    Vol. 115, num. 7, p. 1672-1678
    DOI: 10.1021/jp108900v
    Data de publicació: 2011-01-31
    Article en revista
  • Self-Assembly of a Designed Amyloid Peptide Containing the Functional Thienylalanine Unit

     Hamley, .; Brown, G.; Castelletto, V.; Cheng, G.; Venanzi, Mariano; Caruso, M.; Placidi, E.; Aleman, C.; Revilla-López, G.; Zanuy, D.
    Journal of physical chemistry B
    Vol. 114, num. 32, p. 10674-10683
    DOI: 10.1021/jp105508g
    Data de publicació: 2010-08-19
    Article en revista
  • Modeling of amorphous polyaniline emeraldine base

     Canales, M.; Curcó, D.; Aleman, C.
    Journal of physical chemistry B
    Vol. 114, num. 30, p. 9771-9777
    DOI: 10.1021/jp1052584
    Data de publicació: 2010-08-05
    Article en revista
  • NCAD, a database integrating the intrinsic conformational preferences of non-coded amino acids  Accés obert

     Revilla-López, G.; Torras, J.; Curcó, D.; Casanovas Salas, Jordi; Calaza, M.I.; Zanuy, D.; Jimenez, A.; Cativiela, C.; Nussinov, R.; Grodzinski, P.; Aleman, C.
    Journal of physical chemistry B
    Vol. 114, num. 21, p. 7413-7422
    DOI: 10.1021/jp102092m
    Data de publicació: 2010-05-10
    Article en revista
    Accés al text complet
  • Cylindrical sub-micrometer confinement results for the odd-symmetric dimer alpha,omega-Bis[(4-cyanobiphenyl)-4 '-yloxy]undecane (BCB.O11)

     de la Fuente, M.; Lopez, D.; Pérez, M.; Dunmur, D.; Diez, S.; Salud, J.
    Journal of physical chemistry B
    Vol. 114, num. 23, p. 7864-7873
    DOI: 10.1021/jp9121084
    Data de publicació: 2010-05-05
    Article en revista
  • Poly(2-thiophene-3-yl-malonic acid), a Polythiophene with Two Carboxylic Acids Per Repeating Unit

     Bertran, O.; Armelin, E.; Estrany, F.; Gomes, A.L.; Torras, J.; Aleman, C.
    Journal of physical chemistry B
    Vol. 114, p. 6281-6290
    DOI: 10.1021/jp1006796
    Data de publicació: 2010-04-22
    Article en revista
  • Disentangling the secondary relaxations in the orientationally disordered mixed crystals: cycloheptanol plus cyclooctanol two-component system

     Martinez, J.; Tamarit, J. Ll.; Pardo, L.; Del Barrio, M.; Rzoska, S.J.; Droz-Rzoska, A.
    Journal of physical chemistry B
    Vol. 114, num. 18, p. 6099-6106
    DOI: 10.102/jp100270z
    Data de publicació: 2010-04-20
    Article en revista
  • Effect of Surface Roughness on the Static and Dynamic Properties of Water Adsorbed on Graphene

     Gordillo, M. C.; Marti, J.
    Journal of physical chemistry B
    Vol. 114, num. 13, p. 4583-4589
    DOI: 10.1021/jp9114332
    Data de publicació: 2010-03-17
    Article en revista
  • Computational study of the free energy landscape of the miniprotein CLN025 in explicit and implicit solvent

     Rodríguez, A.; Mokoema, P.; Corcho, F.; Bisetty, K.; Perez, J.
    Journal of physical chemistry B
    Vol. 115, num. 6, p. 1440-1449
    DOI: 10.1021/jp106475c
    Data de publicació: 2010-02-17
    Article en revista
  • Conformational preferences of proline analogues with a fused benzene ring

     Warren, J.G.; Revilla-López, G.; Aleman, C.; Jimenez, A.; Cativiela, C.; Torras, J.
    Journal of physical chemistry B
    Vol. 114, num. 36, p. 11761-11770
    DOI: 10.1021/jp105456r
    Data de publicació: 2010
    Article en revista
  • From Poly(3,4-ethylenedioxythiophene) to Poly(3,4-phenylenedioxythiophene): Impact of the Substitution of the Ethylene Bridge by the Phenyl Ring on the Molecular Properties

     Carrión, S.; Rodriguez, F.; Aradilla, D.; Zanuy, D.; Casanovas Salas, Jordi; Aleman, C.
    Journal of physical chemistry B
    Vol. 114, num. 10, p. 3494-3499
    DOI: 10.1021/jp9112574
    Data de publicació: 2010
    Article en revista
  • Structural and electronic properties of poly(thiaheterohelicene)s

     Torras, J.; Bertran, O.; Aleman, C.
    Journal of physical chemistry B
    Vol. 113, num. 46, p. 15196-15203
    DOI: 10.1021/jp9070086
    Data de publicació: 2009-10-26
    Article en revista
  • Study of the critical behavior and scaling relationships at the N-to-I phase transition in hexyloxycyanophiphenyl

     Salud, J.; Cusmin, P.; de la Fuente, M.; Pérez, M.; Lopez, D.; Diez, S.
    Journal of physical chemistry B
    Vol. 113, num. 49, p. 15967-15974
    DOI: 10.1021/jp906105u
    Data de publicació: 2009-10-07
    Article en revista
  • Sensing Mechanism of Calix[4]arene-Substituted Poly(thiophene) Ion Receptor: Effects of the Selectivity on the Molecular Rigidity

     Rodriguez, F.; Preat, J.; Zanuy, D.; Torras, J.; Aleman, C.
    Journal of physical chemistry B
    Vol. 113, num. 24, p. 8284-8287
    DOI: 10.1021/jp902149r
    Data de publicació: 2009-06
    Article en revista
  • In Silico Molecular Engineering for a Targeted Replacement in a Tumor-Homing Peptide

     Zanuy, D.; Flores-Ortega, A.; Jimenez, A.; Calaza, M.I.; Cativiela, C.; Nussinov, R.; Ruoslahti, E.; Aleman, C.
    Journal of physical chemistry B
    Vol. 113, num. 22, p. 7879-7889
    DOI: 10.1021/jp9006119
    Data de publicació: 2009-06
    Article en revista
  • Conformational study of the pcu cage monopeptide: a key role of some force-field parameters

     Bisetty, K.; Perez, J.
    Journal of physical chemistry B
    Vol. 113, num. 15, p. 5234-5238
    Data de publicació: 2009-03
    Article en revista