Multi-path variational transition state theory for chemical reaction rates of complex polyatomic species: ethanol + OH reactions

JOURNAL ARTICLE published 2012 in Faraday Discussions

Authors: Jingjing Zheng | Donald G. Truhlar

A first-principles machine-learning force field for heterogeneous ice nucleation on microcline feldspar

JOURNAL ARTICLE published 2024 in Faraday Discussions

Research funded by U.S. Department of Energy (DE-SC0019394)

Authors: Pablo M. Piaggi | Annabella Selloni | Athanassios Z. Panagiotopoulos | Roberto Car | Pablo G. Debenedetti

Searches for bridged bicyclic molecules in space—norbornadiene and its cyano derivatives

JOURNAL ARTICLE published 2023 in Faraday Discussions

Research funded by Agence Nationale de la Recherche (ANR-19-CE30-0017-01) | H2020 European Research Council (951801)

Authors: Marie-Aline Martin-Drumel | Jean-Thibaut Spaniol | Helen Hölzel | Marcelino Agúndez | Jose Cernicharo | Kasper Moth-Poulsen | Ugo Jacovella

Which quantum statistics–classical dynamics method is best for water?

JOURNAL ARTICLE published 2020 in Faraday Discussions

Authors: Raz L. Benson | George Trenins | Stuart C. Althorpe

On-Surface Chemical Dynamics of Monolayer, Bilayer, and Many-Layered Graphene Surfaces Probed with Supersonic Beam Scattering and STM Imaging

JOURNAL ARTICLE published 2024 in Faraday Discussions

Authors: Joshua Wagner | Ross Edel | Tim Grabnic | Bryan Wiggins | Steven J Sibener

Photoinduced formation mechanism of the thymine–thymine (6–4) adduct in DNA; a QM(CASPT2//CASSCF):MM(AMBER) study

JOURNAL ARTICLE published 2018 in Faraday Discussions

Research funded by European Research Council (ERC-2011-AdG No. 291198) | Horizon 2020 - Research and Innovation Framework Programme (658173)

Authors: Angelo Giussani | Irene Conti | Artur Nenov | Marco Garavelli

General discussion: Trends in emissions concentrations

JOURNAL ARTICLE published 2021 in Faraday Discussions

Authors: Abdulmalik H. Altuwayjiri | William J. Bloss | Roy M. Harrison | Lyudmila Mihaylova | Luisa T. Molina | Andrea M. Oyarzún Aravena | Christian Pfrang | Jamie Schauer | Jessica Slater | Deepchandra Srivastava | Peter Styring | Timothy J. Wallington | Peng Wang | John G. Watson

Concluding remarks: The age of molecular movies

JOURNAL ARTICLE published 2021 in Faraday Discussions

Research funded by Horizon 2020 Framework Programme (899794)

Authors: Misha Ivanov

Electrochemical experiments define potentials associated with binding of substrates and inhibitors to nitrogenase MoFe protein

JOURNAL ARTICLE published 2023 in Faraday Discussions

Research funded by U.S. Department of Energy (DE-SC0010687) | Biotechnology and Biological Sciences Research Council (BB/R018413/1) | H2020 European Research Council (ERC-2018-CoG BiocatSusChem 819580)

Authors: Ting Chen | Philip A. Ash | Lance C. Seefeldt | Kylie A. Vincent

Experimental, theoretical, and astrochemical modelling investigation of the gas-phase reaction between the amidogen radical (NH₂) and acetaldehyde (CH₃CHO) at low temperatures

JOURNAL ARTICLE published 2023 in Faraday Discussions

Research funded by UK Research and Innovation (MR/T040726/1) | Science and Technology Facilities Council (ST/T000287/1)

Authors: Kevin M. Douglas | Lok Hin Desmond Li | Catherine Walsh | Julia H. Lehman | Mark A. Blitz | Dwayne E. Heard

Poster list

JOURNAL ARTICLE published 2020 in Faraday Discussions

Contents list

JOURNAL ARTICLE published 2020 in Faraday Discussions

Preface: Iontronics: from fundamentals to ion-controlled devices

JOURNAL ARTICLE published 2023 in Faraday Discussions

Authors: Sanli Faez | Serge G. Lemay

Towards complex systems and devices: general discussion

JOURNAL ARTICLE published 2021 in Faraday Discussions

Authors: Roberto Baretta | Lee Brammer | Andrew D. Burrows | David Farrusseng | Satoshi Horike | Jianwen Jiang | Masako Kato | Susumu Kitagawa | Simon Krause | Jet-Sing M. Lee | Alexandre Legrand | Ryotaro Matsuda | Amanda Morris | Anthony E. Phillips | Matthew R. Ryder | Mohana Shivanna | Dumitru Sirbu | Marco Taddei | Lui Terry | Benjamin Wilson | Nobuhiro Yanai

Back cover

JOURNAL ARTICLE published 2020 in Faraday Discussions

New catalytic strategies for α,ω-diols production from lignocellulosic biomass

JOURNAL ARTICLE published 2017 in Faraday Discussions

Authors: Jiayue He | Kefeng Huang | Kevin J. Barnett | Siddarth H. Krishna | David M. Alonso | Zachary J. Brentzel | Samuel P. Burt | Theodore Walker | Williams F. Banholzer | Christos T. Maravelias | Ive Hermans | James A. Dumesic | George W. Huber

Excited-state dynamics of C₃-symmetric heptazine-based thermally activated delayed-fluorescence emitters

JOURNAL ARTICLE published 2024 in Faraday Discussions

Authors: Katrina Bergmann | Zachary M. Hudson

List of participants

JOURNAL ARTICLE published 2023 in Faraday Discussions

Dynamics and nano-rheology of interfacial water: general discussion

JOURNAL ARTICLE published 2024 in Faraday Discussions

Authors: Xavier R. Advincula | Katarina E. Blow | Mischa Bonn | Anna T. Bui | Yafang Cheng | Stephen J. Cox | Flaviano Della Pia | Ulrike Diebold | Laura Fumagalli | Gaurav Goel | John A. Hayton | Ying Jiang | Venkat Kapil | Nikita Kavokine | Kenichiro Koga | Damien Laage | Meir Lahav | Shurui Miao | Angelos Michaelides | Pablo Montero de Hijes | Karina Morgenstern | Taritra Mukherjee | Niamh O'Neill | Ding Pan | Pablo M. Piaggi | Susan L. B. Rempe | Matteo Salvalaglio | Christoph G. Salzmann | Thomas Sayer | Margarita Shepelenko | Gabriele C. Sosso | Shaoheng Wang | Beau Webber | Adam P. Willard | Yang Yao

Engineering considerations for practical lithium–air electrolytes

JOURNAL ARTICLE published 2024 in Faraday Discussions

Research funded by European Research Council (EC H2020 ERC 835073) | Royal Society (RP\R1\180147)

Authors: James H. J. Ellison | Clare P. Grey