Electric-field-controlled water and ion permeation of a hydrophobic nanopore (English)
National licence
- New search for: Dzubiella, J.
- New search for: Hansen, J.-P.
- New search for: Dzubiella, J.
- New search for: Hansen, J.-P.
In:
The Journal of Chemical Physics
;
122
, 23
;
234706-
;
2005
- Article (Journal) / Electronic Resource
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Title:Electric-field-controlled water and ion permeation of a hydrophobic nanopore
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Contributors:Dzubiella, J. ( author ) / Hansen, J.-P. ( author )
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Published in:The Journal of Chemical Physics ; 122, 23 ; 234706-
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Publisher:
- New search for: American Institute of Physics
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Publication date:2005-06-15
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Size:14 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Source:
Table of contents – Volume 122, Issue 23
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 234101
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Development of a relaxation-inducing cluster expansion formalism for treating strong relaxation and correlation effectsJana, Debasis / Mukherjee, Debashis et al. | 2005
- 234102
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The Perdew–Burke–Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis setPaier, Joachim / Hirschl, Robin / Marsman, Martijn / Kresse, Georg et al. | 2005
- 234103
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At the boundary between reduced density-matrix and density-functional theoriesPercus, J. K. et al. | 2005
- 234104
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Undoing static correlation: Long-range charge transfer in time-dependent density-functional theoryMaitra, Neepa T. et al. | 2005
- 234105
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The reaction path intrinsic reaction coordinate method and the Hamilton–Jacobi theoryCrehuet, Ramon / Bofill, Josep Maria et al. | 2005
- 234106
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Accounting for correlations with core electrons by means of the generalized relativistic effective core potentials: Atoms Hg and Pb and their compoundsMosyagin, N. S. / Titov, A. V. et al. | 2005
- 234107
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Comparing polarizable force fields to ab initio calculations reveals nonclassical effects in condensed phasesChelli, Riccardo / Schettino, Vincenzo / Procacci, Piero et al. | 2005
- 234108
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A simulation method for the calculation of chemical potentials in small, inhomogeneous, and dense systemsNeimark, Alexander V. / Vishnyakov, Aleksey et al. | 2005
- 234109
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Second-order quantized Hamilton dynamics coupled to classical heat bathHeatwole, Eric M. / Prezhdo, Oleg V. et al. | 2005
- 234110
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Hybrid correlation models based on active-space partitioning: Correcting second-order Mo&slash;ller–Plesset perturbation theory for bond-breaking reactionsBochevarov, Arteum D. / Sherrill, C. David et al. | 2005
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Nonlinear optical property calculations by the long-range-corrected coupled-perturbed Kohn–Sham methodKamiya, Muneaki / Sekino, Hideo / Tsuneda, Takao / Hirao, Kimihiko et al. | 2005
- 234301
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Time-dependent density-functional theory for molecular photoionization with noniterative algorithm and multicenter B-spline basis set: CS2 and C6H6 case studiesStener, M. / Fronzoni, G. / Decleva, P. et al. | 2005
- 234302
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Mapping rotational coherences onto time-resolved photoelectron imaging observablesSuzuki, Yoshi-ichi / Seideman, Tamar et al. | 2005
- 234303
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Photoionization of vibrationally hot CH3 and CF3Aguirre, F. / Pratt, S. T. et al. | 2005
- 234304
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Elastic electron scattering by C2F4Winstead, C. / McKoy, V. et al. | 2005
- 234305
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Importance of vibronic effects on the circular dichroism spectrum of dimethyloxiraneNeugebauer, Johannes / Jan Baerends, Evert / Nooijen, Marcel / Autschbach, Jochen et al. | 2005
- 234306
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Four-mode quantum calculations of resonance states in complex-forming bimolecular reactions: Cl−+CH3BrSchmatz, Stefan et al. | 2005
- 234307
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Four-dimensional quantum study on exothermic complex-forming reactions: Cl−+CH3Br→ClCH3+Br−Hennig, Carsten / Schmatz, Stefan et al. | 2005
- 234308
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Ab initio kinetics of the reaction of HCO with NO: Abstraction versus association/elimination mechanismXu, Z. F. / Hsu, C.-H. / Lin, M. C. et al. | 2005
- 234309
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Dynamics of the C(1D)+D2 reaction: A comparison of crossed molecular-beam experiments with quasiclassical trajectory and accurate statistical calculationsBalucani, Nadia / Capozza, Giovanni / Segoloni, Enrico / Russo, Andrea / Bobbenkamp, Rolf / Casavecchia, Piergiorgio / Gonzalez-Lezana, Tomas / Rackham, Edward J. / Ban˜ares, Luis / Aoiz, F. Javier et al. | 2005
- 234310
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Heavy atom tunneling in chemical reactions: Study of H+LiF collisionsWeck, P. F. / Balakrishnan, N. et al. | 2005
- 234311
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Electron energy-dependent product state distributions in the dissociative recombination of O2+Petrignani, Annemieke / Hellberg, Fredrik / Thomas, Richard D. / Larsson, Mats / Cosby, Philip C. / van der Zande, Wim J. et al. | 2005
- 234312
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Ab initio intermolecular potential-energy surface and microwave spectra for the Ne–OCS complexZhu, Hua / Zhou, Yanzi / Xie, Daiqian et al. | 2005
- 234313
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The extremely flat torsional potential energy surface of oxalyl chlorideKim, Sunghwan / Wheeler, Steven E. / DeYonker, Nathan J. / Schaefer, Henry F. et al. | 2005
- 234314
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Density-functional theory study of electric and magnetic properties of hexafluorobenzene in the vapor phaseRizzo, Antonio / Cappelli, Chiara / Jansi´k, Branislav / Jonsson, Dan / Sałek, Paweł / Coriani, Sonia / Wilson, David J. D. / Helgaker, Trygve / A˚gren, Hans et al. | 2005
- 234315
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Absorption cross sections and correlation functions of the NH2 A˜ 2A1−X˜ 2B1 Renner–Teller systemPetrongolo, Carlo et al. | 2005
- 234315
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Absorption cross sections and correlation functions of the NH2 Ã2A1-X@62B1 Renner-Teller systemPetrongolo, Carlo et al. | 2005
- 234316
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Application of equation-of-motion coupled-cluster methods to low-lying singlet and triplet electronic states of HBO and BOHDeYonker, Nathan J. / Li, Se / Yamaguchi, Yukio / Schaefer, Henry F. / Crawford, T. Daniel / King, Rollin A. / Peterson, Kirk A. et al. | 2005
- 234317
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Ground and excited states of the Rydberg radical H3O: Electron propagator and quantum defect analysisMelin, Junia / Ortiz, J. V. / Marti´n, I. / Velasco, A. M. / Lavi´n, C. et al. | 2005
- 234318
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Temperature dependent energy transfer in Ar–O3 collisionsIvanov, Mikhail V. / Schinke, Reinhard et al. | 2005
- 234319
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Theoretical fine spectroscopy with symmetry-adapted-cluster configuration-interaction method: Outer- and inner-valence ionization spectra of furan, pyrrole, and thiopheneEhara, Masahiro / Ohtsuka, Yuhki / Nakatsuji, Hiroshi / Takahashi, Masahiko / Udagawa, Yasuo et al. | 2005
- 234320
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Analytically continued Fock space multireference coupled-cluster theory: Application to the 2Πg shape resonance in e-N2 scatteringSajeev, Y. / Santra, Robin / Pal, Sourav et al. | 2005
- 234320
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Analytically continued Fock space multireference coupled-cluster theory: Application to the 2Pg shape resonance in e-N2 scatteringSajeev, Y. et al. | 2005
- 234321
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Comparison of density functionals for differences between the high- (5T2g) and low- (1A1g) spin states of iron(II) compounds. IV. Results for the ferrous complexes [Fe(L)(‘NHS4’)]Ganzenmu¨ller, Georg / Berkai¨ne, Nabil / Fouqueau, Antony / Casida, Mark E. / Reiher, Markus et al. | 2005
- 234501
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Validation of intermolecular pair potential model of SiH4: Molecular-dynamics simulation for saturated liquid density and thermal transport propertiesSakiyama, Yukinori / Takagi, Shu / Matsumoto, Yoichiro et al. | 2005
- 234502
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Measurements of molecular and thermal diffusion coefficients in ternary mixturesLeahy-Dios, Alana / Bou-Ali, Mounir M. / Platten, Jean K. / Firoozabadi, Abbas et al. | 2005
- 234503
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Long-range electrostatic interactions in hybrid quantum and molecular mechanical dynamics using a lattice summation approachDehez, Franc¸ois / Martins-Costa, Mari´lia T. C. / Rinaldi, Daniel / Millot, Claude et al. | 2005
- 234504
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The influence of potential softness on the transport coefficients of simple fluidsHeyes, D. M. / Bran´ka, A. C. et al. | 2005
- 234505
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Density-functional molecular-dynamics study of the redox reactions of two anionic, aqueous transition-metal complexesTateyama, Yoshitaka / Blumberger, Jochen / Sprik, Michiel / Tavernelli, Ivano et al. | 2005
- 234506
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Two secondary modes in decahydroisoquinoline: Which one is the true Johari Goldstein process?Paluch, M. / Pawlus, S. / Hensel-Bielowka, S. / Kaminska, E. / Prevosto, D. / Capaccioli, S. / Rolla, P. A. / Ngai, K. L. et al. | 2005
- 234507
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Prediction of pressure-induced redshift of f1→d(t2g)1 excitations in Cs2NaYCl6:Ce3+ and its connection with bond-length shorteningRuipe´rez, Fernando / Seijo, Luis / Barandiara´n, Zoila et al. | 2005
- 234508
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Triplet excitation transfer in glassy systems: Spatial and spectral diffusionIto, Naoki / Richert, Ranko et al. | 2005
- 234509
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Hydrogen bonding in ethanol under shearPetravic, Janka / Delhommelle, Jerome et al. | 2005
- 234510
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Dynamics of lithium ions in calcium bismuthate glassesDutta, A. / Ghosh, A. et al. | 2005
- 234511
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A potential model for the study of ices and amorphous water: TIP4P/IceAbascal, J. L. F. / Sanz, E. / Garci´a Ferna´ndez, R. / Vega, C. et al. | 2005
- 234701
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Modeling disorder in polymer aggregates: The optical spectroscopy of regioregular poly(3-hexylthiophene) thin filmsSpano, Frank C. et al. | 2005
- 234702
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The reaction rate for dissociative adsorption of N2 on stepped Ru(0001): Six-dimensional quantum calculationsvan Harrevelt, Rob / Honkala, Karoliina / No&slash;rskov, Jens K. / Manthe, Uwe et al. | 2005
- 234703
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Quantum studies of hydrogen bonding in formic acid and water ice surfaceAllouche, A. et al. | 2005
- 234704
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Interaction of formic acid with solid waterBahr, S. / Borodin, A. / Ho¨fft, O. / Kempter, V. / Allouche, A. et al. | 2005
- 234705
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A density-functional-theory study of atomic nitrogen abstraction from Si(100)-(2×1) by a gaseous O(3P) atomHerrera-Morales, Paulo E. / Weaver, Jason F. et al. | 2005
- 234705
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A density-functional-theory study of atomic nitrogen abstraction from Si(100)-(2x1) by a gaseous O(3P) atomHerrera-Morales, Paulo E. et al. | 2005
- 234706
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Electric-field-controlled water and ion permeation of a hydrophobic nanoporeDzubiella, J. / Hansen, J.-P. et al. | 2005
- 234707
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Validation of intermolecular transfer integral and bandwidth calculations for organic molecular materialsHuang, Jingsong / Kertesz, Miklos et al. | 2005
- 234708
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Separation of gas mixtures using a range of zeolite membranes: A molecular-dynamics studyJia, W. / Murad, S. et al. | 2005
- 234709
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Secondary oxidation product on Si(111)-(7x7) characterized by isotope-labeled vibrational spectroscopyOkuyama, H. et al. | 2005
- 234709
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Secondary oxidation product on Si(111)-(7×7) characterized by isotope-labeled vibrational spectroscopyOkuyama, H. / Ohtsuka, Y. / Aruga, T. et al. | 2005
- 234710
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Quantum theoretical study of electron solvation dynamics in ice layers on a Cu(111) surfaceAndrianov, I. / Klamroth, T. / Saalfrank, P. / Bovensiepen, U. / Gahl, C. / Wolf, M. et al. | 2005
- 234711
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Modeling flexible amphiphilic bilayers: A solvent-free off-lattice Monte Carlo studyWang, Zun-Jing / Frenkel, Daan et al. | 2005
- 234712
-
Water in carbon nanotubes: Adsorption isotherms and thermodynamic properties from molecular simulationStriolo, A. / Chialvo, A. A. / Gubbins, K. E. / Cummings, P. T. et al. | 2005
- 234713
-
Mixed electric-magnetic second-order nonlinear optical response of helicenesBotek, Edith / Andre´, Jean-Marie / Champagne, Benoı⁁t / Verbiest, Thierry / Persoons, Andre´ et al. | 2005
- 234714
-
Packing density and structure effects on energy-transfer dynamics in argon collisions with organic monolayersDay, B. Scott / Morris, John R. et al. | 2005
- 234901
-
Topological coarse graining of polymer chains using wavelet-accelerated Monte Carlo. I. Freely jointed chainsIsmail, Ahmed E. / Rutledge, Gregory C. / Stephanopoulos, George et al. | 2005
- 234902
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Topological coarse graining of polymer chains using wavelet-accelerated Monte Carlo. II. Self-avoiding chainsIsmail, Ahmed E. / Stephanopoulos, George / Rutledge, Gregory C. et al. | 2005
- 234903
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Finding pathways between distant local minimaCarr, Joanne M. / Trygubenko, Semen A. / Wales, David J. et al. | 2005
- 234904
-
Integral equation theory of random copolymer melts: Self-consistent treatment of intramolecular and intermolecular correlationsSung, Bong June / Yethiraj, Arun et al. | 2005
- 234905
-
Diffusive solvent dynamics in a polymer gel electrolyte studied by quasielastic neutron scatteringAndersson, D. / Engberg, D. / Swenson, J. / Svanberg, C. / Howells, W. S. / Bo¨rjesson, L. et al. | 2005
- 234906
-
Conductometric properties of linear polyelectrolytes in poor-solvent condition: The necklace modelBordi, F. / Cametti, C. / Gili, T. / Sennato, S. / Zuzzi, S. / Dou, S. / Colby, R. H. et al. | 2005
- 234907
-
Near-infrared optical-absorption behavior in high-beta nonlinear optical chromophore-polymer guest-host materials. II. Dye spacer length effects in an amorphous polycarbonate copolymer hostBarto, Richard R. / Frank, Curtis W. / Bedworth, Peter V. / Ermer, Susan / Taylor, Rebecca E. et al. | 2005
- 234908
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Potential of mean force in confined colloids: Integral equations with fundamental measure bridge functionsAyadim, A. / Malherbe, J. G. / Amokrane, S. et al. | 2005
- 234909
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Direct measurement of relative and collective diffusion in a dilute binary colloidal suspensionKnowles, Michelle K. / Honerkamp-Smith, Aurelia R. / Marcus, Andrew H. et al. | 2005
- 234910
-
Proteins and polymersBanavar, Jayanth R. / Hoang, Trinh Xuan / Maritan, Amos et al. | 2005
- 234911
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Role of solvent for globular proteins in solutionShiryayev, Andrey / Pagan, Daniel L. / Gunton, James D. / Rhen, D. S. / Saxena, Avadh / Lookman, Turab et al. | 2005
- 234912
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Coarse-grained rigid blob model for soft matter simulationsChao, Sheng D. / Kress, Joel D. / Redondo, Antonio et al. | 2005
- 234913
-
Interior segment regrowth configurational-bias algorithm for the efficient sampling and fast relaxation of coarse-grained polyethylene and polyoxyethylene melts on a high coordination latticeRane, Sagar S. / Mattice, Wayne L. et al. | 2005
- 234914
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Dynamics of a poly(ethylene oxide) tracer in a poly(methyl methacrylate) matrix: Remarkable decoupling of local and global motionsHaley, Jeffrey C. / Lodge, Timothy P. et al. | 2005
- 234915
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Topography of the free-energy landscape probed via mechanical unfolding of proteinsKirmizialtin, Serdal / Huang, Lei / Makarov, Dmitrii E. et al. | 2005
- 236101
-
Simple bond length dependence: A correspondence between reactive fluid theoriesDyer, Kippi M. / Perkyns, John S. / Pettitt, B. M. et al. | 2005
- 236102
-
Homogenization of boundary conditions on surfaces randomly covered by patches of different sizes and shapesMakhnovskii, Yurii A. / Berezhkovskii, Alexander M. / Zitserman, Vladimir Yu. et al. | 2005
- 237101
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Comment on “In situ x-ray photoelectron spectroscopic and density-functional studies of Si atoms adsorbed on a C60 film” [J. Chem. Phys. 121, 11351 (2004)]Tournus, Florent / Masenelli, Bruno / Me´linon, Patrice / Le Brusq, Jacques / Perez, Alain et al. | 2005