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RSC - Faraday Discuss. latest articles
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FD 174: Development Of Blue Emitters For Light Emitting Electrochemical Cells

9 July, 2014 - 05:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00107A, PaperAdam F. Henwood, Sloane Evariste, Alexandra Slawin, Eli Zysman-Colman
Herein we report the synthesis and optoelectronic characterisation of three deep blue-emitting cationic iridium complexes, of the form [Ir(dFppy)2(N^N)]PF6, bearing biimidazole-type N^N ancillary ligands (dFppyH = 2-(2,4-difluorophenyl)pyridine). Complex 1 contains...
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Self-sustaining reactions as a tool to study mechanochemical activation

9 July, 2014 - 05:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00133D, PaperL. Takacs
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Is the equilibrium composition of mechanochemical reactions predictable using computational chemistry?

9 July, 2014 - 05:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00162H, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Peter J. Bygrave, David H. Case, Graeme M. Day
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Haptic-driven, interactive drug design: implementing a GPU-based approach to evaluate the induced fit effect

9 July, 2014 - 05:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00139C, PaperAthanasios Anthopoulos, Gaia Pasqualetto, Ian Grimstead, Andrea Brancale
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Visualising intrinsic disorder and conformational variation in protein ensembles

9 July, 2014 - 05:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00138E, PaperJulian Heinrich, Michael Krone, Sean I. O'Donoghue, Daniel Weiskopf
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Advances in elucidating mechanochemical complexities via implementation of a simple organic system

9 July, 2014 - 05:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00150D, PaperAdam A. L. Michalchuk, Ivan A. Tumanov, Valeri A. Drebushchak, Elena V. Boldyreva
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The dual role of sulfur-containing amino acids in the synthesis of IV-VI semiconductor nanocrystals: a mechanochemical approach

9 July, 2014 - 05:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00117B, PaperPeter Balaz, Matej Balaz, Maria Caplovicova, Anna Zorkovska, Lubomir Caplovic, Miroslav Psotka
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FD173:Gel Electrophoresis using a Selective Radical for Separation of Single Walled Carbon Nanotubes

7 July, 2014 - 04:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00092G, PaperSara Mesgari Hagh, Ashok Kumar Sundramoorthy, Leslie S. Loo, Mary Chan-Park
We have applied agarose gel electrophoresis (AGE) to single walled carbon nanotubes (SWNTs) that have been pre-reacted with metallic-selective ionic radicals and then re-suspended with sodium cholate (SC) surfactant to...
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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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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: 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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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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