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Role of surface contaminants, functionalities, defects and electronic structure: general discussion

25 November, 2014 - 14:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD90027H, DiscussionRichard McCreery, Chi-Chang Hu, Julie Macpherson, Matej Velicky, John Foord, Matteo Duca, Katherine Holt, Manuel Alvarez-Guerra, Robert Dryfe, Surbhi Sharma, Patrick R. Unwin, Jingping Hu, George Zheng Chen, Fulian Qiu, Robert Hamers, Mark Newton, Andrew N. J. Rodgers, Philip A. Ash, Deborah Lomax, Keith Stevenson, Aleix Guell, Thomas Varley, Stephen Hodge, Fernanda Juarez
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Carbon electrodes for energy storage: general discussion

25 November, 2014 - 14:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD90026J, DiscussionYury Gogotsi, Dirk Guldi, Richard McCreery, Chi-Chang Hu, Celine Merlet, Francois Beguin, Laurence Hardwick, Elzbieta Frackowiak, Julie Macpherson, Alexander Forse, George Zheng Chen, Katherine Holt, Robert Dryfe, Heisi Kurig, Surbhi Sharma, Patrick R. Unwin, Thomas Rabbow, Wanjing Yu, Fulian Qiu, Fernanda Juarez, Christopher Sole, Boris Dyatkin, Keith Stevenson, Yong Cao, Nico Cousens, Asa Noofeli
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The many faces of carbon in electrochemistry: general discussion

25 November, 2014 - 14:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD90025A, DiscussionRobert Dryfe, George Zheng Chen, Domnik Bayer, Martin Jonsson-Niedziolka, Richard McCreery, Julie Macpherson, Hector Abruna, Yury Gogotsi, Chi-Chang Hu, Francois Beguin, Laurence Hardwick, John Foord, Matteo Duca, Elizabeth Howe, Katherine Holt, Manuel Alvarez-Guerra, Patrick R. Unwin, Thomas Rabbow, Milo Shaffer, Jet-Sing Lee, Elzbieta Frackowiak, Fulian Qiu, Boris Dyatkin, Philip A. Ash, Keith Stevenson, Dirk Guldi, Philippe Bergonzo
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FD 178: Fluorescence axial nanotomography with plasmonics

25 November, 2014 - 14:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00198B, PaperNicholas I Cade, Gilbert Fruhwirth, Alexey V Krasavin, Tony Ng, David Richards
We present a novel imaging technique with super-resolution axial sensitivity, exploiting the changes in fluorescence lifetime above a plasmonic substrate. Using conventional confocal fluorescence lifetime imaging, we show that it...
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FD 177: In-situ characterization of Cu-Co oxides for catalytic application

25 November, 2014 - 14:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00192C, PaperZhen-Yu Tian, Henning Vieker, Patrick Mountapmbeme Kouotou, Andre Beyer
In-situ emission and absorption FTIR methods were employed to characterize the spatially resolved structure of binary Co-Cu oxides for low-temperature oxidation of CO and propene. Co-Cu oxides catalysts were controllably...
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Organic electronics and photonics: concluding remarks

25 November, 2014 - 14:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00202D, PaperDonal D. C. Bradley
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Concluding remarks: there's nowt so queer as carbon electrodes

25 November, 2014 - 14:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00194J, PaperPatrick R. Unwin
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Electron transport in all-carbon molecular electronic devices

25 November, 2014 - 14:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00172A, PaperRichard McCreery, Adam Bergren, Amin Morteza-Najarian, Sayed Youssef Sayed, Haijun Yan
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FD 177: Dynamical, spectroscopic and computational imaging of bond breaking in photodissociation: roaming and role of conical intersections

23 November, 2014 - 14:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00174E, PaperMasaaki Nakamura, Po-Yu Tsai, Toshio Kasai, King-Chuen Lin, Federico Palazzetti, Andrea Lombardi, Vincenzo Aquilanti
Recent experimental and theoretical advances in the study of dissociation of excited molecules are revealing unexpected mechanisms, when their outcomes are tackled by combining (i) space-time ion imaging of translational...
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FD 177: Excited State Dynamics of Organic Semi-Conducting Materials

23 November, 2014 - 14:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00171K, PaperKen Ghiggino, Andrew Tilley, Ben Robotham, Jonathan M White
Time-resolved absorption and emission spectroscopy has been applied to investigate the dynamics of excited state processes in oligomer models for semi-conducting organic materials. Following photo-excitation of a pentamer oligomer that...
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On the photophysics of butadiyne bridged pyrene-phenyl molecular conjugates: multiple emissive pathways through locally excited, intramolecular charge transfer, and excimer states

23 November, 2014 - 14:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00170B, PaperAshok Kumar Mishra, Avik Kumar Pati, Santosh J Gharpure
The present work describes photophysical properties of a group of butadiyne bridged pyrene-phenyl molecular hybrids having different substitutions with varying donor and acceptor abilities. In addition to emission from the...
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The Effect on Structural and Solvent Water Molecules of Substrate Binding to Ferric Horseradish Peroxidase

23 November, 2014 - 14:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00161C, PaperNiall Simpson, Katrin Adamczyk, Gordon Hithell, Daniel J Shaw, Gregory M Greetham, Michael Towrie, Anthony William Parker, Neil T Hunt
Ultrafast, multi-dimensional infrared spectroscopy, in the form of 2D-IR and pump-probe measurements, has been employed to investigate the effect of substrate binding on the structural dynamics of the Horseradish peroxidase...
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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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