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FD 177:Mapping Atomic Motions with Ultrabright Electrons: Towards Fundamental Limits in Space-Time Resolution

21 November, 2014 - 13:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00204K, PaperStephanie Manz, Albert Casandruc, Dongfang Zhang, Yinpeng Zhong, Rolf Loch, Alexander Marx, Taisuke Hasegawaa, Lai Chung Liu, Shima Bayesteh, Hossein Delsim-Hashemi, Matthias Hoffmann, Matthias Felber, Max Hachmann, Frank Mayet, Julian Hirscht, Sercan Keskin, Masaki Hada, Sascha Epp, Klaus Flottmann, R. J. Dwayne Miller
The long held objective of directly observing atomic motions during the defining moments of chemistry has been achieved based on ultrabright electron sources that has given rise to a new...
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FD 177:Dynamics of the chemical bond: Inter- and intra-molecular hydrogen bond

21 November, 2014 - 13:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00167B, PaperE Arunan, Devendra Mani
In this Discussion, we show that a static definition of a 'bond' is not viable by looking at a few examples for both inter- and intra-molecular hydrogen bonding. This follows...
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FD 177: Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations

21 November, 2014 - 13:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00175C, PaperArtur Nenov, Javier Segarra-Marti, Angelo Giussani, Irene Conti, Ivan Rivalta, Elise Dumont, Vishal K. Jaiswal, Salvatore Flavio Altavilla, S Mukamel, M Garavelli
The SOS//QM/MM [Rivalta et al., Int. J. Quant. Chem. 2014, 114, 85.] method consists of an arsenal of computational tools allowing accurate simulation of onedimensional (1D) and bidimensional (2D) electronic...
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FD 178: Second Harmonic Generation on Self-Assembled Tilted Gold Nanowires

21 November, 2014 - 13:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00200H, PaperAlessandro Belardini, Marco Centini, Grigore Leahu, Eugenio Fazio, Concita Sibilia, Josef Haus, Andrew Sarangan
Here we present measurements on a metasurface composed by tilted golden nanowires. The metasurface can induce an optical chiral response of the whole sample when the light impinges on the...
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FD 177: Breaking of a bond: when is it statistical?

21 November, 2014 - 13:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00180J, PaperSrihari Keshavamurthy, Pankaj Yadav
Unimolecular dissociation dynamics of a model three degree of freedom triatomic molecule is studied in order to understand the mechanisms for deviations from statisticality. Performing a wavelet based time-frequency analysis...
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FD 177:Disentangling Detector Data in XFEL Studies of Temporally Resolved Solution State Chemistry

21 November, 2014 - 13:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00203B, PaperMartin Meedom Nielsen, Tim Brandt van Driel, Kasper Skov Kjaer, Elisa Biasin, Martin K. Haldrup, Henrik Till Lemke
With the arrival of X-ray Free Electron Lasers (XFELs), 2D area detectors with large dynamic range for detection of hard X-rays with fast readout rates are required for many types...
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Vibronic structure in the far-UV electronic circular dichroism spectra of proteins

21 November, 2014 - 13:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00163J, PaperZhuo Li, David Robinson, Jonathan D. Hirst
The Franck-Condon effect is considered and the vibrational structure of the [small pi]nb[small pi]* transition of the peptide backbone is incorporated into matrix method calculations of the electronic circular dichroism (CD) spectra...
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FD 177:Spatio-Temporal Correlations in Aqueous Systems: Computational Studies of Static and Dynamic Heterogeneity by 2D-IR Spectroscopy

21 November, 2014 - 13:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00201F, PaperBiman Bagchi, Rikhia Ghosh, Tuhin Samanta, Saikat Banerjee, Rajib Biswas
Local heterogeneity is ubiquitous in natural aqueous systems. It can be caused locally by external biomolecular subsystems like proteins, DNA, micelles and reverse micelles, nanoscopic materials etc. but can also...
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FD 178: Plasmonics on the slope of enlightenment: the role of transition metal nitrides

21 November, 2014 - 13:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00208C, PaperUrcan Guler, Alexander Kildishev, Alexandra Boltasseva, Vladimir Shalaev
The key problem currently faced by plasmonics is related to material limitations. After almost two decades of extreme excitement and research largely based on the use of noble metals, scientists...
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FD 178: Surface plasmon enhanced energy transfer between gold nanorods and fluorophores:application to endosytosis study and RNA detection

21 November, 2014 - 13:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00199K, PaperYinan Zhang, Guoke Wei, Jun Yu, David Birch, Yu Chen
Previously we have demonstrated surface plasmon enhanced energy transfer between fluorophors and gold nanorods under two-photon excitation using fluorescence lifetime imaging microscopy (FLIM) in both solution and intracellular phases. These...
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FD 177:Probing Electronic and Vibrational Dynamics in Molecules by Time-Resolved Photoelectron, Auger-Electron, and X-ray Photon Scattering Spectroscopy

21 November, 2014 - 13:54
Faraday Discuss., 2014, Accepted Manuscript
DOI: 10.1039/C4FD00178H, PaperKochise Bennett, Markus Kowalewski, S Mukamel
We present a unified description for time-resolved electron and photon scattering spectroscopies from molecules prepared in nonstationary states. Signals are expressed in terms of superoperator Green's functions and a systematic...
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FD 178: Fluorescence axial nanotomography with plasmonics

21 November, 2014 - 13:54
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

21 November, 2014 - 13:54
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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FD 177: Dynamical, spectroscopic and computational imaging of bond breaking in photodissociation: roaming and role of conical intersections

21 November, 2014 - 13:54
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

21 November, 2014 - 13:54
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

21 November, 2014 - 13:54
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

21 November, 2014 - 13:54
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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Organic electronics and photonics: concluding remarks

21 November, 2014 - 13:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00202D, PaperDonal D. C. Bradley
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Spiers Memorial Lecture

21 November, 2014 - 13:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00191E, PaperFred Wudl
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Concluding remarks: there's nowt so queer as carbon electrodes

21 November, 2014 - 13:54
Faraday Discuss., 2014, Advance Article
DOI: 10.1039/C4FD00194J, PaperPatrick R. Unwin
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