Faraday Discussions

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• Arctic Tropospheric Ozone Seasonality, Depletion, and Oil Field Influence November 19, 2024
  Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039/D4FD00166D, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Evelyn M Widmaier, Andrew R Jensen, Kerri PrattNear-surface tropospheric ozone depletion events (ODEs) occur in the Polar regions during springtime when ozone reacts with bromine radicals, driving tropospheric ozone mole ratios below 15 ppb […]
  Evelyn M Widmaier
• Uptake of Ammonia by Ice Surfaces at Atmospheric Temperatures November 16, 2024
  Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039/D4FD00169A, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Clemens Richter, Shirin Gholami, Yanisha Manoharan, Tillmann Buttersack, Luca Longetti, Luca Artiglia, Markus Ammann, Thorsten Bartels-Rausch, Hendrik BluhmWe present an ambient pressure X-ray photoelectron spectroscopy investigation of the adsorption of ammonia on ice over […]
  Clemens Richter
• Ongoing large ozone depletion in the polar lower stratospheres: The role of increased water vapour November 15, 2024
  Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039/D4FD00163J, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Martyn P Chipperfield, Saffron Heddell, Sandip Dhomse, Wuhu Feng, Shujie Chang, Graham Mann, Xin Zhou, Hugh PumphreyThe very low temperatures of the polar lower stratosphere lead to the efficient seasonal depletion of ozone following […]
  Martyn P Chipperfield
• Multiphase sulfur chemistry facilitates particle growth in a cold and dark urban environment November 15, 2024
  Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039/D4FD00170B, PaperJingqiu Mao, Kunal Bali, James Raemond Campbell, Ellis Shipley Robinson, Peter F DeCarlo, Amna Ijaz, Brice Temime-Roussel, D'Anna Barbara, Damien Ketcherside, Robert J Yokelson, Lu Hu, Meeta Cesler-Maloney, William Simpson, Fangzhou Guo, James Flynn, Jason St. Clair, Athanasios Nenes, Rodney WeberSulfate comprises an average of 20% of the ambient […]
  Jingqiu Mao
• TBC - Concluding remarks November 4, 2024
  Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039/D4FD00174E, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Andrew CooperTBCThe content of this RSS Feed (c) The Royal Society of Chemistry
  Andrew Cooper
• Unraveling Aqueous Alcohol Freezing : new theoretical tools from graph theory to extract molecular processes in MD simulations October 29, 2024
  Faraday Discuss., 2024, Accepted ManuscriptDOI: 10.1039/D4FD00165F, PaperRawan AbouHaidar, Sana Bougueroua, Denis DUFLOT, Marie-Pierre Gaigeot, Barbara E Wyslouzil, Celine ToubinIce clouds in the upper troposphere are crucial for regulating Earth’s climate by affecting stratospheric humidity and the global radiative balance. A key aspect of cloud formation is heterogeneous ice...The content of this RSS Feed (c) The […]
  Rawan AbouHaidar
• Preface October 17, 2024
  Faraday Discuss., 2024, 253,9-10DOI: 10.1039/D4FD90045F, EditorialSusan Perkin, Tom WeltonThe content of this RSS Feed (c) The Royal Society of Chemistry
  Susan Perkin
• Spiers Memorial Lecture: New horizons in nanoelectrochemistry October 14, 2024
  Faraday Discuss., 2024, Advance ArticleDOI: 10.1039/D4FD00159A, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Oluwasegun Wahab, Lane A. BakerThis introductory lecture prefaces the 2024 New Horizons in Nanoelectrochemistry Faraday Discussion.To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this […]
  Oluwasegun Wahab
• Stochastic and low-scaling techniques: general discussion October 14, 2024
  Faraday Discuss., 2024, 254,451-499DOI: 10.1039/D4FD90042A, DiscussionAli Alavi, Marcus Allen, Kemal Atalar, Timothy C. Berkelbach, George H. Booth, Hugh G. A. Burton, Garnet Kin-Lic Chan, Luca Craciunescu, Don Danilov, Werner Dobrautz, Francesco A. Evangelista, Maria-Andreea Filip, Emmanuel Giner, Gabriel Greene-Diniz, Andreas Grüneis, Yang Guo, Gaurav Harsha, Basil Ibrahim, Venkat Kapil, Daniel Kats, Peter J. Knowles, Marie-Bernadette […]
  Ali Alavi
• Correlation in extended systems: general discussion October 13, 2024
  Faraday Discuss., 2024, 254,682-707DOI: 10.1039/D4FD90044H, DiscussionAli Alavi, Kemal Atalar, Timothy C. Berkelbach, George H. Booth, Garnet Kin-Lic Chan, Francesco A. Evangelista, Tamar Goldzak, Andreas Grüneis, Gaurav Harsha, Venkat Kapil, Peter Knowles, Marie-Bernadette Lepetit, Julia Liebert, Arman Nejad, Verena A. Neufeld, Trinidad Novoa, Katarzyna Pernal, Felix Plasser, Umatur Rehman, Benjamin X. Shi, David P. Tew, Zikuan […]
  Ali Alavi
• Stochastic and low-scaling techniques/extended systems: general discussion October 13, 2024
  Faraday Discuss., 2024, 254,570-585DOI: 10.1039/D4FD90043J, DiscussionAli Alavi, Kemal Atalar, Timothy C. Berkelbach, George H. Booth, Ji Chen, Don Danilov, Werner Dobrautz, Francesco A. Evangelista, Gaurav Harsha, Venkat Kapil, Ke Liao, Pierre-François Loos, Krishna Reddy Nandipati, Felix Plasser, Andrew W. Prentice, Markus Reiher, Brenda Rubenstein, Benjamin Xu Shi, Alex J. W. Thom, Zikuan Wang, Carlos Mejuto-Zaera, […]
  Ali Alavi
• Concluding remarks October 9, 2024
  Faraday Discuss., 2024, 254,708-717DOI: 10.1039/D4FD00152D, Paper Open Access &nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.Francesco A. EvangelistaA summary of the research themes covered during the 2024 Faraday Discussion on Correlated electronic structure and the author’s perspective on the challenges and open frontiers of the field.The content of this RSS […]
  Francesco A. Evangelista
• Novel perturbative and variational methods for stronger correlations: general discussion October 7, 2024
  Faraday Discuss., 2024, 254,191-215DOI: 10.1039/D4FD90041C, DiscussionVibin Abraham, Kemal Atalar, Kenneth O. Berard, George H. Booth, Hugh G. A. Burton, Garnet K.-L. Chan, Francesco A. Evangelista, Maria-Andreea Filip, Emmanuel Giner, Alexander Gunasekera, Peter J. Knowles, Marie-Bernadette Lepetit, Ke Liao, Pierre-François Loos, Erika Magnusson, Nicholas J. Mayhall, Carlos Mejuto-Zaera, Frank Neese, Verena A. Neufeld, Pinkie Ntola, Felix […]
  Vibin Abraham
• Structure and dynamics in dense ionic fluids: general discussion October 6, 2024
  Faraday Discuss., 2024, 253,146-180DOI: 10.1039/D4FD90034K, DiscussionAndrew P. Abbott, Rob Atkin, Muhammad Dabai Bala, Stuart J. Brown, Duncan W. Bruce, Paola Carbone, Franca Castiglione, Margarida Costa Gomes, Jean-François Dufrêche, Karen J. Edler, Andrew Feeney, Kateryna Goloviznina, Juan Luis Gómez-Estévez, Timothy S. Groves, Benworth Hansen, Rachel Hendrikse, Christian Holm, Pierre Illien, Roland Kjellander, Alexei Kornyshev, Claudio J. […]
  Andrew P. Abbott
• Ionic fluids out of equilibrium: electrodeposition, dissolution, electron transfer, driving forces: general discussion October 3, 2024
  Faraday Discuss., 2024, 253,407-425DOI: 10.1039/D4FD90036G, DiscussionAndrew P. Abbott, Rob Atkin, Margarida Costa Gomes, Jean-François Dufrêche, Christopher E. Elgar, Y. K. Catherine Fung, Kateryna Goloviznina, Alexis Grimaud, Benworth Hansen, Jennifer M. Hartley, Christian Holm, Alexei Kornyshev, Kevin R. J. Lovelock, Daniel M. Markiewitz, Joshua Maurer, Shurui Miao, Susan Perkin, Frederik Philippi, Bernhard Roling, Nicolas Schaeffer, Monika […]
  Andrew P. Abbott
• New directions in experiment and theory, interfaces, and interactions: general discussion October 2, 2024
  Faraday Discuss., 2024, 253,493-509DOI: 10.1039/D4FD90037E, DiscussionRob Atkin, Duncan W. Bruce, Robert A. W. Dryfe, Emmanuelle Dubois, Karen J. Edler, Christopher E. Elgar, Andrew Feeney, Kateryna Goloviznina, Timothy S. Groves, Benworth Hansen, John D. Holbrey, Christian Holm, Alexei Kornyshev, Claudio J. Margulis, Daniel M. Markiewitz, Richard P. Matthews, Joshua Maurer, Shurui Miao, Frederik Philippi, Elixabete Rezabal, […]
  Rob Atkin
• Ionic fluids at equilibrium: thermodynamics, nanostructure, phase behaviour, activity: general discussion October 2, 2024
  Faraday Discuss., 2024, 253,289-313DOI: 10.1039/D4FD90035A, DiscussionAndrew P. Abbott, Rob Atkin, Duncan W. Bruce, Paola Carbone, Giacomo Damilano, Robert A. W. Dryfe, Jean-Francois Dufrêche, Karen J. Edler, Y. K. Catherine Fung, Kateryna Goloviznina, Margarida Costa Gomes, Alexis Grimaud, Timothy S. Groves, Jennifer M. Hartley, John D. Holbrey, Christian Holm, Pierre Illien, Roland Kjellander, Alexei Kornyshev, Kevin […]
  Andrew P. Abbott
• Multi-reference coupled cluster theory using the normal ordered exponential ansatz September 30, 2024
  Faraday Discuss., 2024, 254,170-190DOI: 10.1039/D4FD00044G, PaperAlexander D. Gunasekera, Nicholas Lee, David P. TewWe examine Lindgren's normal-ordered exponential ansatz to correlate specific spin states using spin-free excitation operators, with the aid of automatic equation generation software.The content of this RSS Feed (c) The Royal Society of Chemistry
  Alexander D. Gunasekera
• Preface September 18, 2024
  Faraday Discuss., 2024, 254,9-10DOI: 10.1039/D4FD90033B, EditorialGeorge H. Booth, Ali AlaviThe content of this RSS Feed (c) The Royal Society of Chemistry
  George H. Booth
• Concluding remarks: Dense ionic fluids: because sometimes, more is more September 1, 2024
  Faraday Discuss., 2024, 253,510-523DOI: 10.1039/D4FD00150H, PaperRob AtkinA DIF is a electrolyte where the ion–ion distance is smaller than the Bjerrum length, causing strong electrostatic coupling in correlated domains. Ionic domains may be interspersed with non-polar or immiscible regions.The content of this RSS Feed (c) The Royal Society of Chemistry
  Rob Atkin