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Liquid-assisted vortex grinding supports the single-step solid-state construction of a [2.2]paracyclophane

7 July, 2014 - 04:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00006D, PaperJelena Stojakovic, Brian S. Farris, Leonard R. MacGillivray
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Mechanically induced silyl ester cleavage under acidic conditions investigated by AFM-based single-molecule force spectroscopy in the force-ramp mode

7 July, 2014 - 04:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00119A, PaperSebastian W. Schmidt, Michael F. Pill, Alfred Kersch, Hauke Clausen-Schaumann, Martin K. Beyer
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The mechanically induced structural disorder in barium hexaferrite, BaFe12O19, and its impact on magnetism

7 July, 2014 - 04:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00137G, PaperV. Sepelak, M. Myndyk, R. Witte, J. Roder, D. Menzel, R. H. Schuster, H. Hahn, P. Heitjans, K.-D. Becker
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Enhancing covalent mechanochemistry in bulk polymers using electrospun ABA triblock copolymers

3 July, 2014 - 03:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00001C, PaperA. L. Black Ramirez, A. K. Schmitt, M. K. Mahanthappa, S. L. Craig
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A GPU-accelerated immersive audio-visual framework for interaction with molecular dynamics using consumer depth sensors

3 July, 2014 - 03:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00008K, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.David R. Glowacki, Michael O'Connor, Gaetano Calabro, James Price, Philip Tew, Thomas Mitchell, Joseph Hyde, David P. Tew, David J. Coughtrie, Simon McIntosh-Smith
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NRas slows the rate at which a model lipid bilayer phase separates

3 July, 2014 - 03:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00131H, PaperElizabeth Jefferys, Mark S. P. Sansom, Philip W. Fowler
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Electron induced chemistry: a new frontier in astrochemistry

3 July, 2014 - 03:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00004H, PaperNigel J. Mason, Binukumar Nair, Sohan Jheeta, Ewelina Szymanska
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FD 174: Highly efficient organic devices based on small-molecule organic semiconductors

1 July, 2014 - 03:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00094C, PaperKarl Leo, Vadim Lyssenko, Simone Hofmann
We discuss approaches to increase external efficiency for both organic light emitting diodes (OLED) and organic microcavity lasers. We discuss how external dielectric layers can be used to enhance outcoupling...
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FD 174: Dynamic Amplification of Light Signals in Photorefractive Ferroelectric Liquid Crystalline Mixtures

1 July, 2014 - 03:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00068D, PaperTakeo Sasaki, Satoshi Kajikawa, Yumiko Naka
The photorefractive effect in photoconductive ferroelectric liquid crystals that contain photoconductive chiral compounds was investigated. Ter-thiophene compounds with chiral structures were chosen as the photoconductive chiral compounds, and they were...
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FD173:Oxygen Reduction Reaction in Electrochemically Reduced Graphene Oxide

29 June, 2014 - 02:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00088A, Papersantosh kumar Bikkarolla, Peter Cumson, Paul Joseph, Pagona Papakonstantinou
We show that partially reduced graphene oxide electrocatalyst, synthesized by electrochemical reduction of graphene oxide (GO) displays significantly enhanced catalytic activity towards oxygen reduction reaction (ORR) in alkaline solutions compared...
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FD 174: Characterization and simulation of electrolyte-gated organic field-effect transistors

29 June, 2014 - 02:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00095A, PaperKatharina Melzer, Marcel Brandlein, Bogdan Popescu, Dan Popescu, Paolo Lugli, Giuseppe Scarpa
In this work we fabricate and characterize field-effect transistors based on the solution-processable semiconducting polymer poly (3 hexylthiophene) (P3HT). Applying two independent gate potentials to the electrolyte-gated organic field-effect transistor...
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Accelerating electrostatic pair methods on graphical processing units to study molecules in supercritical carbon dioxide

29 June, 2014 - 02:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00012A, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.John A. Baker, Jonathan. D. Hirst
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Complex organic molecules along the accretion flow in isolated and externally irradiated protoplanetary disks

27 June, 2014 - 02:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00135K, PaperCatherine Walsh, Eric Herbst, Hideko Nomura, T. J. Millar, Susanna Widicus Weaver
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Allosteric pathway identification through network analysis: from molecular dynamics simulations to interactive 2D and 3D graphs

27 June, 2014 - 02:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00024B, PaperAriane Allain, Isaure Chauvot de Beauchene, Florent Langenfeld, Yann Guarracino, Elodie Laine, Luba Tchertanov
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A real-time proximity querying algorithm for haptic-based molecular docking

27 June, 2014 - 02:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00123G, PaperGeorgios Iakovou, Steven Hayward, Stephen Laycock
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FD 174: Computation of Hole Mobilities: Comparison of Single Crystal and Surface Adsorbed Models

25 June, 2014 - 01:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00082J, PaperRose A Krawczuk, Joseph J.W. McDouall, William Mitchell, Steven Tierney
We report hole mobilities obtained computationally based on both single crystal geometries and those obtained from crystal fragments optimised on a model surface. Such computational estimates can differ considerably from...
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FD 174: Breaking the simple proportionality between molecular conductances and charge transfer rates

25 June, 2014 - 01:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00106K, PaperRavindra Venkatramani, Emil Wierzbinski, David H Waldeck, David N Beratan
A theoretical framework is presented to describe and to understand the observed relationship between molecular conductances and charge transfer rates across molecular bridges as a function of length, structure, and...
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FD 172: Spontaneous formation of metallic nanostructures on Highly Oriented Pyrolytic Graphite (HOPG): an ab-initio and experimental study

25 June, 2014 - 01:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00047A, PaperFernanda Juarez, Silvina Fuentes, German Soldano, Lucia Avalle, Elizabeth Santos
We have investigated the decoration of step-edges of HOPG by Ag, Au and Pt using experimental and theoretical approaches. Metallic nanowires can be formed on bare or functionalized step-edges. Energy...
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FD173: Single-walled carbon nanotube networks in conductive composite materials

25 June, 2014 - 01:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00087K, PaperOana Andreea Barsan, Gunter Hoffmann, Leo van der Ven, G. de With
Electrically conductive composite materials can be used for a wide range of applications because they combine the advantages of a specific polymeric material (e.g., thermal and mechanical properties) with the...
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Low-energy electron-induced chemistry of condensed methanol: implications for the interstellar synthesis of prebiotic molecules

25 June, 2014 - 01:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00158J, PaperMavis D. Boamah, Kristal K. Sullivan, Katie E. Shulenberger, ChanMyae M. Soe, Lisa M. Jacob, Farrah C. Yhee, Karen E. Atkinson, Michael C. Boyer, David R. Haines, Christopher R. Arumainayagam
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