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Updated: 5 hours 25 min ago

Carbonization of self-assembled nanoporous hemin with a significantly enhanced activity for the oxygen reduction reaction

5 hours 25 min ago
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00121D, PaperYan Xie, Chizhou Tang, Zhiqiang Hao, Yang Lv, Ruixia Yang, Xuming Wei, Weiqiao Deng, Anjie Wang, Baolian Yi, Yujiang Song
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Functionalised gold and titania nanoparticles and surfaces for use as antimicrobial coatings

5 hours 25 min ago
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00113C, PaperSacha Noimark, Kristopher Page, Joseph C. Bear, Carlos Sotelo-Vazquez, Raul Quesada-Cabrera, Yao Lu, Elaine Allan, Jawwad A. Darr, Ivan P. Parkin
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Two-dimensional sum-frequency generation (2D SFG) spectroscopy: Summary of principles and its application to amyloid fiber monolayers

19 November, 2014 - 13:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00173G, PaperAyanjeet Ghosh, Jia-Jung Ho, Arnaldo Luis Serrano, David Ryan Skoff, Tianqi Zhang, Martin Zanni
By adding a mid-infrared pulse shaper to a sum-frequency generation (SFG) spectrometer, we have built a 2D SFG spectrometer capable of measuring spectra analogous to 2D IR spectra but with...
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Lasing of Tamm states in highly efficient organic devices based on small-molecule organic semiconductors

19 November, 2014 - 13:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00094C, PaperR. Bruckner, V. G. Lyssenko, S. Hofmann, K. Leo
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Spinning of carbon nanotube fibres using the floating catalyst high temperature route: purity issues and the critical role of sulphur

19 November, 2014 - 13:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00066H, PaperT. S. Gspann, F. R. Smail, A. H. Windle
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Accelerating electrostatic pair methods on graphical processing units to study molecules in supercritical carbon dioxide

19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,343-357
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

19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,303-321
DOI: 10.1039/C4FD00024B, PaperAriane Allain, Isaure Chauvot de Beauchene, Florent Langenfeld, Yann Guarracino, Elodie Laine, Luba Tchertanov
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Studying chemical reactivity in a virtual environment

19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,89-118
DOI: 10.1039/C4FD00021H, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Moritz P. Haag, Markus Reiher
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Computing power revolution and new algorithms: GP-GPUs, clouds and more: general discussion

19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,379-401
DOI: 10.1039/C4FD90021A, Discussion
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Applications and serious games: from docking to protein folding: general discussion

19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,501-519
DOI: 10.1039/C4FD90022G, Discussion
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Advanced visualization and visual analytics: general discussion

19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,245-264
DOI: 10.1039/C4FD90020K, Discussion
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Molecular simulations and visualization: introduction and overview

19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,9-22
DOI: 10.1039/C4FD90024C, PaperJonathan D. Hirst, David R. Glowacki, Marc Baaden
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Virtual and augmented reality immersive molecular simulations: general discussion

19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,143-166
DOI: 10.1039/C4FD90019G, Discussion
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3D molecular models of whole HIV-1 virions generated with cellPACK

19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,23-44
DOI: 10.1039/C4FD00017J, PaperGraham T. Johnson, David S. Goodsell, Ludovic Autin, Stefano Forli, Michel F. Sanner, Arthur J. Olson
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Impressions by a dinosaur - summary of Faraday discussion 169: molecular simulations and visualization

19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,521-527
DOI: 10.1039/C4FD00130C, PaperFrederick P. Brooks, Jr
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Immune Attack players perform better on a test of cellular immunology and self confidence than their classmates who play a control video game

19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,403-423
DOI: 10.1039/C4FD00014E, PaperMelanie Stegman
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Density based visualization for molecular simulation

19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,225-243
DOI: 10.1039/C3FD00124E, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Dmitri Rozmanov, Svetlana Baoukina, D. Peter Tieleman
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Exploring genomes with a game engine

19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,443-453
DOI: 10.1039/C3FD00152K, PaperJeremiah J. Shepherd, Lingxi Zhou, William Arndt, Yan Zhang, W. Jim Zheng, Jijun Tang
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A GPU-accelerated immersive audio-visual framework for interaction with molecular dynamics using consumer depth sensors

19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,63-87
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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GPU-accelerated analysis and visualization of large structures solved by molecular dynamics flexible fitting

19 November, 2014 - 13:17
Faraday Discuss., 2014, 169,265-283
DOI: 10.1039/C4FD00005F, PaperJohn E. Stone, Ryan McGreevy, Barry Isralewitz, Klaus Schulten
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