Connectivity percolation of polydisperse anisotropic nanofillers (English)
National licence
- New search for: Otten, Ronald H. J.
- New search for: van der Schoot, Paul
- New search for: Otten, Ronald H. J.
- New search for: van der Schoot, Paul
In:
The Journal of Chemical Physics
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134
, 9
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15
;
2011
- Article (Journal) / Electronic Resource
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Title:Connectivity percolation of polydisperse anisotropic nanofillers
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Additional title:Polydispersity and connectivity percolation
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Contributors:Otten, Ronald H. J. ( author ) / van der Schoot, Paul ( author )
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Published in:The Journal of Chemical Physics ; 134, 9 ; 15
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Publisher:
- New search for: American Institute of Physics
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Publication date:2011-03-07
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Size:15 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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Keywords:
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Source:
Table of contents – Volume 134, Issue 9
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.
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Communication: Direct angle-resolved measurements of collision dynamics with electronically excited molecules: NO(A2Σ+) + ArKay, Jeffrey J. / Paterson, Grant / Costen, Matthew L. / Strecker, Kevin E. / McKendrick, Kenneth G. / Chandler, David W. et al. | 2011
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Communication: CO oxidation by silver and gold cluster cations: Identification of different active oxygen speciesPopolan, Denisia M. / Bernhardt, Thorsten M. et al. | 2011
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Local ab initio methods for calculating optical band gaps in periodic systems. I. Periodic density fitted local configuration interaction singles method for polymersLorenz, Marco / Usvyat, Denis / Schütz, Martin et al. | 2011
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Benchmark calculations for dissipative dynamics of a system coupled to an anharmonic bath with the multiconfiguration time-dependent Hartree methodLópez-López, S. / Martinazzo, R. / Nest, M. et al. | 2011
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Transition-metal dioxides: A case for the intersite term in Hubbard-model functionalsKulik, Heather J. / Marzari, Nicola et al. | 2011
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Exponentially and pre-exponentially correlated Gaussians for atomic quantum calculationsSharkey, Keeper L. / Adamowicz, Ludwik et al. | 2011
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Transport, phase transitions, and wetting in micro/nanochannels: A phase field/DDFT approachMickel, Walter / Joly, Laurent / Biben, Thierry et al. | 2011
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Fragmentation and reactivity in collisions of protonated diglycine with chemically modified perfluorinated alkylthiolate-self-assembled monolayer surfacesBarnes, George L. / Young, Kelsey / Yang, Li / Hase, William L. et al. | 2011
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Ab initio interatomic decay widths of excited states by applying Stieltjes imaging to Lanczos pseudospectraKopelke, S. / Gokhberg, K. / Averbukh, V. / Tarantelli, F. / Cederbaum, L. S. et al. | 2011
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Accurate freezing and melting equations for the Lennard-Jones systemKhrapak, Sergey A. / Morfill, Gregor E. et al. | 2011
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The effect of electron interactions on the universal properties of systems with optimized off-resonant intrinsic hyperpolarizabilityWatkins, David S. / Kuzyk, Mark G. et al. | 2011
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Determination of molecular vibrational state energies using the ab initio semiclassical initial value representation: Application to formaldehydeWong, Stephanie Y. Y. / Benoit, David M. / Lewerenz, Marius / Brown, Alex / Roy, Pierre-Nicholas et al. | 2011
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On the relation between orbital-localization and self-interaction errors in the density functional theory treatment of organic semiconductorsKörzdörfer, T. et al. | 2011
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Coarse-graining errors and numerical optimization using a relative entropy frameworkChaimovich, Aviel / Shell, M. Scott et al. | 2011
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Inversion of two-dimensional potentials from frequency-resolved spectroscopic dataLi, Xuan / Shapiro, Moshe et al. | 2011
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Langevin–Bloch equations for a spin bathGhosh, Arnab / Sinha, Sudarson Sekhar / Ray, Deb Shankar et al. | 2011
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Dynamical mean-field theory from a quantum chemical perspectiveZgid, Dominika / Chan, Garnet Kin-Lic et al. | 2011
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Laser-induced breathing modes in metallic nanoparticles: A symmetric molecular dynamics studyNg, Ming-Yaw / Chang, Yia-Chung et al. | 2011
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Complex wave patterns in an effective reaction–diffusion model for chemical reactions in microemulsionsAlonso, Sergio / John, Karin / Bär, Markus et al. | 2011
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An efficient, fragment-based electronic structure method for molecular systems: Self-consistent polarization with perturbative two-body exchange and dispersionJacobson, Leif D. / Herbert, John M. et al. | 2011
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Overlapping fragments method for electronic structure calculation of large systemsVukmirović, Nenad / Wang, Lin-Wang et al. | 2011
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Use of modified smooth exterior scaling method as an absorbing potential and its applicationKalita, Dhruba J. / Gupta, Ashish K. et al. | 2011
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High-level direct-dynamics variational transition state theory calculations including multidimensional tunneling of the thermal rate constants, branching ratios, and kinetic isotope effects of the hydrogen abstraction reactions from methanol by atomic hydrogenMeana-Pañeda, Rubén / Truhlar, Donald G. / Fernández-Ramos, Antonio et al. | 2011
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Thermodynamic driving force for diffusion: Comparison between theory and simulationWhitman, Jessica R. / Aranovich, Gregory L. / Donohue, Marc D. et al. | 2011
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Infrared absorption of CH3OSO detected with time-resolved Fourier-transform spectroscopyChen, Jin-Dah / Lee, Yuan-Pern et al. | 2011
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Accurate ab initio determination of the adiabatic potential energy function and the Born–Oppenheimer breakdown corrections for the electronic ground state of LiH isotopologuesHolka, Filip / Szalay, Péter G. / Fremont, Julien / Rey, Michael / Peterson, Kirk A. / Tyuterev, Vladimir G. et al. | 2011
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Photoelectron angular distributions from autoionizing 4s14p66p1 states in atomic krypton probed with femtosecond time resolutionDoughty, Benjamin / Haber, Louis H. / Hackett, Christina / Leone, Stephen R. et al. | 2011
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Radiationless decay in the region of the 2t2g and 4eg resonances in SF6Bolognesi, P. / Kivimäki, A. / O’Keeffe, P. / Feyer, V. / Tarantelli, F. / Storchi, L. / Avaldi, L. et al. | 2011
- 94309
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Structures and photoelectron spectroscopy of Cun(BO2)m- (n, mFeng, Yuan et al. | 2011
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Electron attachment to POCl3. III. Measurement and kinetic modeling of branching fractionsShuman, Nicholas S. / Miller, Thomas M. / Viggiano, A. A. / Troe, Jürgen et al. | 2011
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Xe+ formation following photolysis of Au–Xe: A velocity map imaging studyHopkins, W. Scott / Woodham, Alex P. / Plowright, Richard J. / Wright, Timothy G. / Mackenzie, Stuart R. et al. | 2011
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Novel pentagonal silicon rings and nanowheels stabilized by flat pentacoordinate carbon(s)Zdetsis, Aristides D. et al. | 2011
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Franck–Condon simulation of the A 1B2 → X 1A1 dispersed fluorescence spectrum of fluorobenzene and its rate of the internal conversionHe, Rongxing / Yang, Ling / Zhu, Chaoyuan / Yamaki, Masahiro / Lee, Yuan-Pern / Lin, Sheng Hsien et al. | 2011
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Photoionization of small sodium-doped acetic acid clustersForysinski, Piotr W. / Zielke, Philipp / Luckhaus, David / Corbett, Jennifer / Signorell, Ruth et al. | 2011
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A new noncovalent force: Comparison of P···N interaction with hydrogen and halogen bondsScheiner, Steve et al. | 2011
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Molecular dynamics simulations for CO2 spectra. II. The far infrared collision-induced absorption bandHartmann, J.-M. / Boulet, C. / Jacquemart, D. et al. | 2011
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Phase behavior of hard colloidal platelets using free energy calculationsMarechal, Matthieu / Cuetos, Alejandro / Martínez-Haya, Bruno / Dijkstra, Marjolein et al. | 2011
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On the isobaric thermal expansivity of liquidsTroncoso, Jacobo / Navia, Paloma / Romaní, Luis / Bessieres, David / Lafitte, Thomas et al. | 2011
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A molecular theory for two-photon and three-photon fluorescence polarizationLeeder, J. M. / Andrews, D. L. et al. | 2011
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Prospect for characterizing interacting soft colloidal structures using spin-echo small angle neutron scatteringLi, Xin / Shew, Chwen-Yang / Liu, Yun / Pynn, Roger / Liu, Emily / Herwig, Kenneth W. / Smith, Gregory S. / Robertson, J. Lee / Chen, Wei-Ren et al. | 2011
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A computational study of ultrafast acid dissociation and acid–base neutralization reactions. II. The relationship between the coordination state of solvent molecules and concerted versus sequential acid dissociationMaurer, Patrick / Thomas, Vibin / Iftimie, Radu et al. | 2011
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Effects of excluded volume interaction and dimensionality on diffusion-mediated reactionsSeki, Kazuhiko / Wojcik, Mariusz / Tachiya, M. et al. | 2011
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Formation of crystal nuclei near critical supersaturation in small volumesKožíšek, Zdeněk / Sato, Kyotaka / Ueno, Satoru / Demo, Pavel et al. | 2011
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Flexible, ab initio potential, and dipole moment surfaces for water. I. Tests and applications for clusters up to the 22-merWang, Yimin / Huang, Xinchuan / Shepler, Benjamin C. / Braams, Bastiaan J. / Bowman, Joel M. et al. | 2011
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Isotope effects in ice Ih: A path-integral simulationHerrero, Carlos P. / Ramírez, Rafael et al. | 2011
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Plasmon single- and multi-quantum excitation in free metal clusters as seen by photoelectron spectroscopyAndersson, T. / Zhang, C. / Rosso, A. / Bradeanu, I. / Legendre, S. / Canton, S. E. / Tchaplyguine, M. / Öhrwall, G. / Sorensen, S. L. / Svensson, S. et al. | 2011
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Modulation of volume fraction results in different kinetic effects in Belousov–Zhabotinsky reaction confined in AOT-reverse microemulsionVillar Álvarez, Eva / Carballido-Landeira, Jorge / Guiu-Souto, Jacobo / Taboada, Pablo / Muñuzuri, Alberto P. et al. | 2011
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Properties of rotating nanoalloys formed by cluster collision: A computer simulation studyPaz, S. A. / Leiva, E. P. M. / Jellinek, J. / Mariscal, M. M. et al. | 2011
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What makes ionic fluids characteristically ionic? A corresponding-states analysis of the surface tension of an ionic model fluid with variable dispersion interactionsLeroy, Frédéric / Weiss, Volker C. et al. | 2011
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Assessment and prediction of thermal transport at solid–self-assembled monolayer junctionsDuda, John C. / Saltonstall, Christopher B. / Norris, Pamela M. / Hopkins, Patrick E. et al. | 2011
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Molecule–substrate interaction channels of metal-phthalocyanines on graphene on Ni(111) surfaceDou, Weidong / Huang, Shuping / Zhang, R. Q. / Lee, C. S. et al. | 2011
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False multiple exciton recombination and multiple exciton generation signals in semiconductor quantum dots arise from surface charge trappingTyagi, Pooja / Kambhampati, Patanjali et al. | 2011
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Magnetic field dependence of the diffusion of single dextran molecules within a hydrogel containing magnetite nanoparticlesAL-Baradi, Ateyyah M. / Mykhaylyk, Oleksandr O. / Blythe, Harry J. / Geoghegan, Mark et al. | 2011
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Connectivity percolation of polydisperse anisotropic nanofillersOtten, Ronald H. J. / van der Schoot, Paul et al. | 2011
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Heteronuclear proton assisted recouplingPaëpe, Gaël De / Lewandowski, Józef R. / Loquet, Antoine / Eddy, Matt / Megy, Simon / Böckmann, Anja / Griffin, Robert G. et al. | 2011
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The effect of correlated bath fluctuations on exciton transferStrümpfer, Johan / Schulten, Klaus et al. | 2011
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Inverted micelle formation of cell-penetrating peptide studied by coarse-grained simulation: Importance of attractive force between cell-penetrating peptides and lipid head groupKawamoto, Shuhei / Takasu, Masako / Miyakawa, Takeshi / Morikawa, Ryota / Oda, Tatsuki / Futaki, Shiroh / Nagao, Hidemi et al. | 2011
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Power-law dependence of the melting temperature of ubiquitin on the volume fraction of macromolecular crowdersWaegele, Matthias M. / Gai, Feng et al. | 2011
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Erratum: “Infrared and Raman line shapes for ice Ih. II. H2O and D2O” [J. Chem. Phys. 133, 244504 (2010)]Li, F. / Skinner, J. L. et al. | 2011
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Structures and photoelectron spectroscopy of Cun(BO2)m− (n, m = 1, 2) clusters: Observation of hyperhalogen behaviorFeng, Yuan / Xu, Hong-Guang / Zheng, Weijun / Zhao, Hongmin / Kandalam, Anil K. / Jena, Puru et al. | 2011
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Giant Stark effect in double-stranded porphyrin ladder polymersPramanik, Anup / Kang, Hong Seok et al. | 2011
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Numerical analysis of Ostwald ripening in two-dimensional systemsDubrovskii, V. G. / Kazansky, M. A. / Nazarenko, M. V. / Adzhemyan, L. T. et al. | 2011
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Ultrafast photo-excitation dynamics in isolated, neutral water clustersLiu, H. T. / Müller, J. P. / Beutler, M. / Ghotbi, M. / Noack, F. / Radloff, W. / Zhavoronkov, N. / Schulz, C. P. / Hertel, I. V. et al. | 2011