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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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FD173: Synthesis and First X-ray Structure of a Hexa-peri-hexabenzocoronene-Fullerene-Dyad: A Model for an Inter-Carbon-Allotrope Hybrid

25 June, 2014 - 01:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00069B, PaperAndreas Hirsch, Andreas Josef Kratzer, Dominik Lungerich, Jan Moritz Englert, Frank Heinemann, Norbert Jux
The synthesis of a new hexabenzocoronene(HBC)-fullerene dyad 1 was accomplished involving a covalent linkage between both the planar and the spherical conjugated [small pi]-system of the two chromophors. We also present...
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The chemistry of planet-forming regions is not interstellar

25 June, 2014 - 01:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00141E, PaperKlaus M. Pontoppidan, Sandra M. Blevins
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RiboVision suite for visualization and analysis of ribosomes

25 June, 2014 - 01:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00126A, PaperChad R. Bernier, Anton S. Petrov, Chris C. Waterbury, James Jett, Fengbo Li, Larry E. Freil, Xiao Xiong, Lan Wang, Blacki L. R. Migliozzi, Eli Hershkovits, Yuzhen Xue, Chiaolong Hsiao, Jessica C. Bowman, Stephen C. Harvey, Martha A. Grover, Zachary J. Wartell, Loren Dean Williams
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Characterizing the chemical pathways for water formation - a deep search for hydrogen peroxide

25 June, 2014 - 01:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00115F, PaperBerengere Parise, Per Bergman, Karl Menten
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FD 174: Hybrid organic semiconductor lasers for bio-molecular sensing

23 June, 2014 - 01:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00091A, PaperAnne-Marie Haughey, Caroline Foucher, Benoit Guilhabert, Alexander Kanibolotsky, Peter Skabara, Glenn A Burley, Martin D Dawson, Nicolas Laurand
Bio-functionalised luminescent organic semiconductors are attractive for biophotonics because they can act as efficient laser materials while simultaneously interacting with molecules. In this paper, we present and discuss a laser...
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Formation of coherent rotational wavepackets in small molecule-helium clusters using impulsive alignment

23 June, 2014 - 01:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00099D, PaperGediminas Galinis, Luis Guillermo Mendoza Luna, Mark J Watkins, Andrew Ellis, Russell S Minns, Mirjana Mladenovic, Marius Lewerenz, Richard T Chapman, I. C. Edmond Turcu, Cephise Cacho, Emma Springate, Lev Kazak, Sebastian Gode, Robert Irsig, Mr Slavomir Skruszewicz, Josef Tiggesbaumker, Karl-Heinz Meiwes-Broer, Arnaud Rouzee, Jonathan Underwood, Klaus von Haeften, Marc Siano
We show that rotational line spectra of molecular clusters with near zero permanent dipole moments can be observed using impulsive alignment. Aligned rotational wavepackets were generated by non-resonant interaction with...
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FD 174: A quantum chemical study from a molecular perspective: ionization and electron attachment energies for species often used to fabricate single-molecule junctions

23 June, 2014 - 01:17
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00101J, PaperIoan Baldea
The accurate determination of the lowest electron attachment ($EA$) and ionization ($IP$) energies for molecules embedded in molecular junctions is important for correctly estimating, (emph{e.g.}, the magnitude of the currents...
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Studying chemical reactivity in a virtual environment

23 June, 2014 - 01:17
Faraday Discuss., 2014, Advance Article
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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Rapid decomposition and visualisation of protein-ligand binding free energies by residue and by water

23 June, 2014 - 01:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00125C, PaperChristopher J. Woods, Maturos Malaisree, Julien Michel, Ben Long, Simon McIntosh-Smith, Adrian J. Mulholland
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Reaction kinetics and isotope effect of water formation by the surface reaction of solid H2O2 with H atoms at low temperatures

19 June, 2014 - 00:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00112A, PaperOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Yasuhiro Oba, Kazuya Osaka, Naoki Watanabe, Takeshi Chigai, Akira Kouchi
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Udock, the interactive docking entertainment system

19 June, 2014 - 00:17
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00147D, PaperGuillaume Levieux, Guillaume Tiger, Stephanie Mader, Jean-Francois Zagury, Stephane Natkin, Matthieu Montes
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FD173: Spinning of carbon nanotube fibres using the floating catalyst high temperature route: purity issues and the critical role of sulphur

16 June, 2014 - 23:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00066H, PaperThurid Susanne Gspann, Fiona Ruth Smail, Alan H Windle
The CVD process for the spinning of carbon nanotube (CNT) fibres combines the nucleation, growth and aggregation of CNTs in the form of an aerogel with fibre spinning into a...
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Inkjet printing of graphene

16 June, 2014 - 23:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00067F, PaperKirill Arapov, Robert Abbel, G. de With, Heiner Friedrich
Inkjet printing of graphene is a cost-effective, and versatile deposition technique for both transparent and non-transparent conductive films. Printing graphene on paper is aiming for low-end, high-volume applications, i.e., in...
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Free-electron laser induced processes in thin molecular ice

16 June, 2014 - 23:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00116D, PaperBjorn Siemer, Sebastian Roling, Robert Frigge, Tim Hoger, Rolf Mitzner, Helmut Zacharias
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FD 174: Measurement and Control of Detailed Electronic Transport Properties of Single Molecule Junctions

16 June, 2014 - 23:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00080C, PaperKun Wang, Joseph M Hamill, Jianfeng Zhou, Cunlan Guo, Bingqian Xu
The lack of detailed experimental controls has been one of the major obstacles that hinder the progress in molecular electronics. While experimental data remains all over the map, specific details,...
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Polycyclic aromatic hydrocarbons - catalysts for molecular hydrogen formation

16 June, 2014 - 23:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C3FD00151B, PaperA. L. Skov, J. D. Thrower, L. Hornekaer
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Efficient diffusive mechanisms of O atoms at very low temperatures on surfaces of astrophysical interest

16 June, 2014 - 23:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00002A, PaperEmanuele Congiu, Marco Minissale, Saoud Baouche, Henda Chaabouni, Audrey Moudens, Stephanie Cazaux, Giulio Manico, Valerio Pirronello, Francois Dulieu
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