Recent advances in the modelling and simulation of electrokinetic effects: bridging the gap between atomistic and macroscopic descriptions (English)
- New search for: Pagonabarraga, I.
- New search for: Pagonabarraga, I.
- New search for: Rotenberg, B.
- New search for: Frenkel, D.
In:
Physical chemistry, chemical physics
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12
, 33
; 9566-9581
;
2010
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ISSN:
- Article (Journal) / Print
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Title:Recent advances in the modelling and simulation of electrokinetic effects: bridging the gap between atomistic and macroscopic descriptions
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Contributors:
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Published in:Physical chemistry, chemical physics ; 12, 33 ; 9566-9581
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Publisher:
- New search for: The Royal Soc. of Chemistry
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Place of publication:Cambridge
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Publication date:2010
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ISSN:
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ZDBID:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 35.10
- Further information on Basic classification
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Keywords:
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Classification:
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Source:
Table of contents – Volume 12, Issue 33
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.
- 9537
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Front cover| 2010
- 9539
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Contents| 2010
- 9557
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Catalysis and the nature of mixed-metal oxides at the nanometer level: special properties of MOx/TiO2(110) {M= V, W, Ce} surfacesRodriguez, José A. / Stacchiola, Dario et al. | 2010
- 9566
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Recent advances in the modelling and simulation of electrokinetic effects: bridging the gap between atomistic and macroscopic descriptionsPagonabarraga, I. / Rotenberg, B. / Frenkel, D. et al. | 2010
- 9581
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Vacuum-ultraviolet circular dichroism spectroscopy of DNA: a valuable tool to elucidate topology and electronic coupling in DNAHolm, Anne Ivalu Sander / Nielsen, Lisbeth Munksgaard / Hoffmann, Søren Vrønning / Nielsen, Steen Brøndsted et al. | 2010
- 9597
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A comparison of methods for measuring relative radical stabilities of carbon-centred radicalsCoote, Michelle L. / Lin, Ching Yeh / Beckwith, Athelstan L. J. / Zavitsas, Andreas A. et al. | 2010
- 9611
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Spin-component scaled coupled-clusters singles and doubles optimized towards calculation of noncovalent interactionsPitoňák, Michal / Řezáč, Jan / Hobza, Pavel et al. | 2010
- 9615
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NIR-laser-induced selective rotamerization of hydroxy conformers of cytosineLapinski, Leszek / Nowak, Maciej J. / Reva, Igor / Rostkowska, Hanna / Fausto, Rui et al. | 2010
- 9619
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Nonadiabatic quantum dynamics calculations for the N + NH → N2 + H reactionYang, Huan / Hankel, M. / Varandas, Antonio / Han, Keli et al. | 2010
- 9624
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The conformational landscape of the volatile anesthetic sevofluraneLesarri, Alberto / Vega-Toribio, Alicia / Suenram, Richard D. / Brugh, Dale J. / Grabow, Jens-Uwe et al. | 2010
- 9632
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Excimer states in microhydrated adenine clustersSmith, V. R. / Samoylova, E. / Ritze, H.-H. / Radloff, W. / Schultz, T. et al. | 2010
- 9637
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Experimental determination of the Onsager coefficients of transport for Ce0.8Pr0.2O2-dChatzichristodoulou, C. / Park, W. S. / Kim, H. S. / Hendriksen, P. / Yoo, H. I. et al. | 2010
- 9637
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Experimental determination of the Onsager coefficients of transport for Ce0.8Pr0.2O2-δChatzichristodoulou, Christodoulos et al. | 2010
- 9650
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Bis(tetrathiafulvalenes) with aromatic bridges: electron delocalization in the oxidized species through EPR and theoretical studiesRiobé, Françoi / Avarvari, Narci / Grosshans, Philippe / Sidorenkova, Helena / Berclaz, Théo / Geoffroy, Michel et al. | 2010
- 9661
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Inelastic neutron scattering of Na-zeolite A with in situ ammoniation: an examination of initial coordinationSeel, A. G. / Sartbaeva, A. / Rammirez-Cuesta, A. J. / Edwards, P. P. et al. | 2010
- 9667
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Modelling the spectroscopy and dynamics of plastocyaninRobinson, David / Besley, Nicholas A. et al. | 2010
- 9677
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A comparative study of the binding of QSY 21 and Rhodamine 6G fluorescence probes to DNA: structure and dynamicsKabeláč, Martin / Zimandl, Filip / Fessl, Tomáš / Chval, Zdeněk / Lankaš, Filip et al. | 2010
- 9685
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Solubility of alkanes, alkanols and their fluorinated counterparts in tetraalkylphosphonium ionic liquidsBlesic, Marijana / Lopes, José N. Canongia / Gomes, Margarida F. Costa / Rebelo, Luís Paulo N. et al. | 2010
- 9693
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Electronic structure changes in cobalt phthalocyanine due to nanotube encapsulation probed using resonant inelastic X-ray scatteringSwarbrick, Janine C. / Weng, Tsu-Chien / Schulte, Karina / Khlobystov, Andrei N. / Glatzel, Pieter et al. | 2010
- 9700
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Conformation specific and charge directed reactivity of radical cation intermediates of a-substituted (amino, hydroxy, and keto) bioactive carboxylic acidsBhattacharya, A. / Shin, J. W. / Clawson, K. / Bernstein, E. et al. | 2010
- 9700
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Conformation specific and charge directed reactivity of radical cation intermediates of α-substituted (amino, hydroxy, and keto) bioactive carboxylic acidsBhattacharya, Atanu / Shin, Joong-Won / Clawson, Keven J. / Bernstein, Elliot R. et al. | 2010
- 9713
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The stability of [Zn(NH3)4]2+ in water: A quantum mechanical/molecular mechanical molecular dynamics studyQaiser Fatmi, M. / Hofer, Thomas S. / Rode, Bernd M. et al. | 2010
- 9719
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The influence of the relative position of the thiophene and pyrrole rings in donor–acceptor thienylpyrrolyl-benzothiazole derivatives. A photophysical and theoretical investigationPina, João / Seixas de Melo, J. Sérgio / Batista, Rosa M. F. / Costa, Susana P. G. / Raposo, M. Manuela M. et al. | 2010
- 9726
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Ab initio simulation of UV/vis absorption spectra for atmospheric modeling: method design for medium-sized moleculesMelnichuk, Anna / Perera, Ajith / Bartlett, Rodney J. et al. | 2010
- 9736
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Cooling and collisions of large gas phase moleculesPatterson, David / Tsikata, Edem / Doyle, John M. et al. | 2010
- 9742
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The atomic level structure of the TiO2–NiTi interfaceNolan, M. / Tofail, S. A. M. et al. | 2010
- 9751
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Luminescence of nitrogen-vacancy centers in nanodiamonds at temperatures between 300 and 700 K: perspectives on nanothermometryPlakhotnik, Tara / Gruber, Daniel et al. | 2010
- 9757
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On-off QD switch that memorizes past recovery from quenching by diazonium saltsLiras, Marta / González-Béjar, María / Scaiano, J. C. et al. | 2010
- 9763
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Surface and interstitial Ti diffusion at the rutile TiO2(110) surfaceMulheran, P. A. / Nolan, M. / Browne, C. S. / Basham, M. / Sanville, E. / Bennett, R. A. et al. | 2010
- 9772
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Apparent transverse relaxation rates in systems with coupled carbon-13 spinsSegawa, Takuya F. / Aeby, Nicola / Bodenhausen, Geoffrey et al. | 2010
- 9777
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The effect of N-ligands on the geometry, bonding, and electronic absorption properties of ruthenium carbonyl chainsNiskanen, Mika / Hirva, Pipsa / Haukka, Matti et al. | 2010
- 9783
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Fluorescence and chemiluminescence properties of indolylmaleimides: experimental and theoretical studiesNakazono, Manabu / Jinguji, Ai / Nanbu, Shinkoh / Kuwano, Ryoichi / Zheng, Zilong / Saita, Kenichiro / Oshikawa, Yuji / Mikuni, Yuta / Murakami, Tatsuhiro / Zhao, Yi et al. | 2010
- 9794
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Cysteine radical cation: A distonic structure probed by gas phase IR spectroscopySinha, Rajeev K. / Maître, Philippe / Piccirillo, Susanna / Chiavarino, Barbara / Crestoni, Maria Elisa / Fornarini, Simonetta et al. | 2010
- 9801
-
Coadsorption of hydrogen and CO on well-defined Pt35Ru65/Ru(0001) surface alloys—site specificity vs. adsorbate–adsorbate interactionsDiemant, Thoma / Rauscher, Hubert / Bansmann, Joachim / Behm, R. Jürgen et al. | 2010
- 9811
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Origin of non-Faradayicity in electrochemical promotion of catalytic ethylene oxidationToghan, Arafat / Rösken, Liz M. / Imbihl, Ronald et al. | 2010
- 9816
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An improved version of the Kornyshev-Eigen-Wicke model for the diffuse double layer in concentrated electrolytesFawcett, W. Ronald / Ryan, Peter J. et al. | 2010
- 9822
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Multi-layer electron transfer across nanostructured Ag-SAM-Au-SAM junctions probed by surface enhanced Raman spectroscopySezer, Murat / Feng, Jiu-Ju / Khoa Ly, H. / Shen, Yanfei / Nakanishi, Takashi / Kuhlmann, Uwe / Hildebrandt, Peter / Möhwald, Helmuth / Weidinger, Inez M. et al. | 2010
- 9830
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Computational and experimental study of the interactions between ionic liquids and volatile organic compoundsGao, Tingting / Andino, Jean M. / Alvarez-Idaboy, J. Raul et al. | 2010
- 9839
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Onset of diradical character in small nanosized graphene patchesWang, Jinhua / Zubarev, Dmitry Yu. / Philpott, Michael R. / Vukovic, Sinisa / Lester, William A. / Cui, Tian / Kawazoe, Yoshiyuki et al. | 2010
- 9845
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A first principles study of water dissociation on small copper clustersChen, Lei / Zhang, Qingfan / Zhang, Yunfeng / Li, Winston Z. / Han, Bo / Zhou, Chenggang / Wu, Jinping / Forrey, Robert C. / Garg, Diwakar / Cheng, Hansong et al. | 2010
- 9852
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Laser trapping and picosecond time-resolved spectroscopy of water droplets in air: cavity-enhanced spontaneous emission of Ru(bpy)3Cl2Ishizaka, Shoji / Suzuki, Yuya / Kitamura, Noboru et al. | 2010
- 9858
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Interfacial Cu/ZnO contact by selective photodeposition of copper onto the surface of small ZnO nanoparticles in non-aqueous colloidal solutionSliem, Mahmoud A. / Hikov, Todor / Li, Zi-An / Spasova, Marina / Farle, Michael / Schmidt, Diedrich A. / Havenith-Newen, Martina / Fischer, Roland A. et al. | 2010
- 9867
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Evolution of metallic screening in small metal clusters probed by PCI-Auger spectroscopyPeters, Sven / Peredkov, Sergey / Balkaya, Bari / Ferretti, Nicoletta / Neeb, Matthia / Eberhardt, Wolfgang et al. | 2010
- 9872
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Deducing anharmonic coupling matrix elements from picosecond time-resolved photoelectron spectra: application to S1 toluene at low vibrational energyDavies, Julia A. / Green, Alistair M. / Reid, Katharine L. et al. | 2010
- 9884
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Quantum chemical investigation of the thermal rearrangement of cis- and trans-pinaneKinzel, Daniel / Stolle, Achim / Ondruschka, Bernd / González, Leticia et al. | 2010
- 9893
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Solvation of carbon nanotubes by aniline calculated with density functional tight bindingMaurer, Reinhard J. / Sax, Alexander F. et al. | 2010
- 9900
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Muon spin spectroscopy of the discotic liquid crystal HAT6McKenzie, Iain / Cammidge, Andrew N. / Dilger, Herbert / Gopee, Hemant / Scheuermann, Robert / Stoykov, Alexey / Jayasooriya, Upali A. et al. | 2010
- 9909
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Fundamental studies of methanol synthesis from CO2 hydrogenation on Cu(111), Cu clusters, and Cu/ZnO(0001&cmb.macr;)Yang, Yixiong / Evans, Jaime / Rodriguez, Jose A. / White, Michael G. / Liu, Ping et al. | 2010
- 9918
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Predicting impurity gases and phases during hydrogen evolution from complex metal hydrides using free energy minimization enabled by first-principles calculationsKim, Ki Chul / Allendorf, Mark D. / Stavila, Vitalie / Sholl, David S. et al. | 2010
- 9927
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Synthesis and characterization of clathrate hydrates containing carbon dioxide and ethanolMakiya, Takeshi / Murakami, Takashi / Takeya, Satoshi / Sum, Amadeu K. / Alavi, Saman / Ohmura, Ryo et al. | 2010
- 9933
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Understanding Eu3+ emission spectra in glassWen, Hongli / Jia, Guohua / Duan, Chang-Kui / Tanner, Peter A. et al. | 2010
- 9938
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Kinetics of adsorption of carboxylic acids onto titanium dioxideRoncaroli, Federico / Blesa, Miguel A. et al. | 2010
- 9945
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New insight on structural properties of hydrated nucleic acid bases from ab initio molecular dynamicsFurmanchuk, Al'ona / Shishkin, Oleg V. / Isayev, Olexandr / Gorb, Leonid / Leszczynski, Jerzy et al. | 2010
- 9955
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Back cover| 2010