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Quantitative in situ and real-time monitoring of mechanochemical reactions

13 July, 2014 - 06:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00013G, PaperIvan Halasz, Tomislav Friscic, Simon A. J. Kimber, Krunoslav Uzarevic, Andreas Puskaric, Cristina Mottillo, Patrick Julien, Vjekoslav Strukil, Veijo Honkimaki, Robert E. Dinnebier
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THz and mid-IR spectroscopy of interstellar ice analogs: methyl and carboxylic acid groups

13 July, 2014 - 06:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00154G, PaperS. Ioppolo, B. A. McGuire, M. A. Allodi, G. A. Blake
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The two-step mechanochemical synthesis of porphyrins

13 July, 2014 - 06:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00140G, PaperHannah Shy, Paula Mackin, Andrea S. Orvieto, Deepa Gharbharan, Geneva R. Peterson, Nick Bampos, Tamara D. Hamilton
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FD173: Nitrogen segregation in nanocarbons

11 July, 2014 - 05:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00111G, PaperChris Ewels, Dogan Erbahar, Philipp Wagner, Xavier Rocquefelte, Raul Arenal, Prof. Pascal Pochet, Mark Rayson, Mattia Scardamaglia, Carla Bittencourt, Patrick R Briddon
We explore the behaviour of nitrogen doping in carbon nanomaterials, notably graphene, nanotubes, and carbon thin films. This is initially via a brief review of the literature, followed by a...
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The formation of glycine and other complex organic molecules in exploding ice mantles

11 July, 2014 - 05:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00155E, PaperJ. M. C. Rawlings, D. A. Williams, S. Viti, C. Cecchi-Pestellini, W. W. Duley
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Density based visualization for molecular simulation

9 July, 2014 - 05:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00124E, PaperOpen Access Open AccessDmitri Rozmanov, Svetlana Baoukina, D. Peter Tieleman
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FD173: Do we Need Covalent Bonding of Si nanoparticles on Graphene Oxide for Li-ion Batteries?

9 July, 2014 - 05:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00089G, PaperYana Miroshnikov, Gal Grinbom, Gregory Gershinsky, Gilbert Daniel Nessim, David Zitoun
In this manuscript, we report our investigation of anode materials for Li-ion batteries based on silicon- graphene oxide composites. Previous reports in the literature on silicon-graphene oxide (GO) composites as...
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FD 176: Comparison of photoelectrochemical water oxidation activity of a synthetic photocatalyst system with Photosystem II

9 July, 2014 - 05:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00059E, PaperYi-Hsuan Lai, Masaru Kato, Dirk Mersch, Erwin Reisner
This discussion describes a direct comparison of photoelectrochemical (PEC) water oxidation activity between a photosystem II (PSII)-functionalised photoanode and a synthetic nanocomposite photoanode. The semi-biological photoanode is composed of PSII...
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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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FD173: Chameleon-like Behaviour of Cyclo[n]paraphenylenes in Complexes with C70. On Their Impressive Electronic and Structural Adaptability as probed By Raman spectroscopy. Formerly: Cyclo[n]paraphenylenes: A Tasty Slice of Carbon Nanotubes with A Unique

9 July, 2014 - 05:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00103F, PaperMiriam Pena Alvarez, Paula Mayorga Burrezo, Takahiro Iwamoto, Lili Qiu, Miklos Kertesz, Mercedes Taravillo, Valentin Garcia Baonza, Juan T. Lopez Navarrete, Shigeru Yamago, Juan Casado
A series of four 1:1 host-guest supramolecular complexes of [n]CPPs and C70 have been analyzed by Raman spectroscopy in solid state and complemented with the analysis of their spectroscopic responses...
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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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