Curve crossing in a manifold of coupled electronic states: direct quantum dynamics simulations of formamide

JOURNAL ARTICLE published 2018 in Faraday Discussions

Authors: K. Eryn Spinlove | Gareth W. Richings | Michael A. Robb | Graham A. Worth

Spiers Memorial Lecture : Introductory lecture: Hot-electron science and microscopic processes in plasmonics and catalysis

JOURNAL ARTICLE published 2019 in Faraday Discussions

Research funded by Welch Foundation (C-1220) | Defense Threat Reduction Agency (HDTRA 1-16-1-0042) | Office of Naval Research (N00014-10-1-0989) | Air Force Office of Scientific Research (FA9550-15-1-0022) | National Science Foundation (ECCS-1610229) | Army Research Office (MURI W911NF-12-1-0407)

Authors: N. J. Halas

Effects of heat treatment atmosphere on the structure and activity of Pt₃Sn nanoparticle electrocatalysts: a characterisation case study

JOURNAL ARTICLE published 2018 in Faraday Discussions

Research funded by Engineering and Physical Sciences Research Council (EP/I019693/1,EP/K014668/1,EP/K014706/2,EP/K014714/1,EP/K014854/1,EP/K035746/1,EP/M028216/1) | China Scholarship Council (201608440295)

Authors: Haoliang Huang | Abu Bakr Ahmed Amine Nassr | Verónica Celorrio | S. F. Rebecca Taylor | Vinod Kumar Puthiyapura | Christopher Hardacre | Dan J. L. Brett | Andrea E. Russell

Front cover

JOURNAL ARTICLE published 2018 in Faraday Discussions

Fully quantum calculation of the second and third virial coefficients of water and its isotopologues fromab initiopotentials

JOURNAL ARTICLE published 2018 in Faraday Discussions

Research funded by National Science Foundation (CHE-1566036)

Authors: Giovanni Garberoglio | Piotr Jankowski | Krzysztof Szalewicz | Allan H. Harvey

Influence of carbonaceous species on aqueous photo-catalytic nitrogen fixation by titania

JOURNAL ARTICLE published 2019 in Faraday Discussions

Research funded by National Science Foundation (1846611)

Authors: Yu-Hsuan Liu | Manh Hiep Vu | JeongHoon Lim | Trong-On Do | Marta C. Hatzell

Electron-driven proton transfer enables nonradiative photodeactivation in microhydrated 2-aminoimidazole

JOURNAL ARTICLE published 2018 in Faraday Discussions

Research funded by Simons Foundation (494188) | Narodowe Centrum Nauki (2016/23/B/ST4/01048)

Authors: Mikołaj J. Janicki | Rafał Szabla | Jiří Šponer | Robert W. Góra

How many ritonavir cases are there still out there?

JOURNAL ARTICLE published 2018 in Faraday Discussions

Authors: Marcus A. Neumann | Jacco van de Streek

Bio-inspired protonic memristor devices based on metal complexes with proton-coupled electron transfer

JOURNAL ARTICLE published 2019 in Faraday Discussions

Research funded by Japan Society for the Promotion of Science (KAKENHI/ JP17H05383,16K05732)

Authors: Yusuke Hiruma | Kai Yoshikawa | Masa-aki Haga

ROY revisited, again: the eighth solved structure

JOURNAL ARTICLE published 2018 in Faraday Discussions

Research funded by National Science Foundation (DMR-1420073,DMR-1608374) | National Institutes of Health (5R21GM107774-02) | U.S. Department of Energy (DE-NA0001982)

Authors: Melissa Tan | Alexander G. Shtukenberg | Shengcai Zhu | Wenqian Xu | Eric Dooryhee | Shane M. Nichols | Michael D. Ward | Bart Kahr | Qiang Zhu

A kinetic model for redox-active film based biophotoelectrodes

JOURNAL ARTICLE published 2019 in Faraday Discussions

Research funded by Deutsche Forschungsgemeinschaft (RESOLV EXC 1069,SHIELD PL746/2-1,ANR-15-CE05-0020) | H2020 European Research Council (ERC Starting Grant 715900) | China Scholarship Council (201306950049)

Authors: D. Buesen | T. Hoefer | H. Zhang | N. Plumeré

Solar-driven carbon dioxide fixation using photosynthetic semiconductor bio-hybrids

JOURNAL ARTICLE published 2019 in Faraday Discussions

Research funded by National Aeronautics and Space Administration (NNX17AJ31G)

Authors: Stefano Cestellos-Blanco | Hao Zhang | Peidong Yang

Poster list

JOURNAL ARTICLE published 2018 in Faraday Discussions

Application of novel solid phase extraction-NMR protocols for metabolic profiling of human urine

JOURNAL ARTICLE published 2019 in Faraday Discussions

Authors: Daniel McGill | Elena Chekmeneva | John C. Lindon | Zoltan Takats | Jeremy K. Nicholson

Heterogeneous catalytic and chemical looping routes to N₂ activation: general discussion

JOURNAL ARTICLE published 2023 in Faraday Discussions

Authors: Fatima Abi Ghaida | Katharina Brinkert | Yongli Cai | C. Richard A. Catlow | Hsin-Yi Tiffany Chen | Ping Chen | Jean-Philippe Dacquin | Angela Daisley | Joseph El-Kadi | Wenbo Gao | Jianping Guo | Justin S. J. Hargreaves | Michael D. Higham | Patrick L. Holland | Hideo Hosono | Gavin J. Irvine | John T. S. Irvine | Manpreet Kaur | Yoji Kobayashi | Said Laassiri | Luc Liedtke | Douglas R. MacFarlane | Josh Makepeace | Ian J. McPherson | Vineet Mishra | Pinkie Ntola | Shiho Otomo | Jonas C. Peters | Yasushi Sekine | Zhangjie Shi | Carsten Sievers | Ifan E. L. Stephens | Tim Sudmeier | Laura Torrente Murciano | Deniz Uner | Qianru Wang | Yaolin Wang | Olivia Westhead | Lukman Yusuf | Xin Zeng

Joint and unique multiblock analysis of biological data – multiomics malaria study

JOURNAL ARTICLE published 2019 in Faraday Discussions

Authors: Izabella Surowiec | Tomas Skotare | Rickard Sjögren | Sandra Gouveia-Figueira | Judy Orikiiriza | Sven Bergström | Johan Normark | Johan Trygg

Interactions of aggregating peptides probed by IR-UV action spectroscopy

JOURNAL ARTICLE published 2019 in Faraday Discussions

Research funded by Nederlandse Organisatie voor Wetenschappelijk Onderzoek (16327)

Authors: Sjors Bakels | Eline M. Meijer | Mart Greuell | Sebastiaan B. A. Porskamp | George Rouwhorst | Jerôme Mahé | Marie-Pierre Gaigeot | Anouk M. Rijs

Characterising polar compounds using supercritical fluid chromatography–nuclear magnetic resonance spectroscopy (SFC–NMR)

JOURNAL ARTICLE published 2019 in Faraday Discussions

Research funded by Nederlandse Organisatie voor Wetenschappelijk Onderzoek (PTA-COAST 3053.21.115)

Authors: F. H. M. van Zelst | S. G. J. van Meerten | A. P. M. Kentgens

Electrochemistry at a single nanoparticle: from bipolar regime to tunnelling

JOURNAL ARTICLE published 2018 in Faraday Discussions

Research funded by Division of Chemistry (CHE-1763337) | Basic Energy Sciences (DE-SC0017603)

Authors: Tong Sun | Dengchao Wang | Michael V. Mirkin

Quantum coherence in ultrafast photo-driven charge separation

JOURNAL ARTICLE published 2019 in Faraday Discussions

Research funded by National Science Foundation (DGE-1842165,DMR-1710104)

Authors: Brian T. Phelan | Jonathan D. Schultz | Jinyuan Zhang | Guan-Jhih Huang | Ryan M. Young | Michael R. Wasielewski