The EFG Rosetta Stone: Translating between DFT calculations and solid state NMR experiments

JOURNAL ARTICLE published 2024 in Faraday Discussions

Authors: Javier Valenzuela Reina | Federico Civaia | Angela F Harper | Christoph Scheurer | Simone Köcher

Mean field ring polymer molecular dynamics for electronically nonadiabatic reaction rates

JOURNAL ARTICLE published 2016 in Faraday Discussions

Research funded by Division of Graduate Education (DGE-1144153) | Division of Chemistry (CHE-1555205) | Alfred P. Sloan Foundation (Alfred P. Sloan Research Fellowship)

Authors: Jessica Ryan Duke | Nandini Ananth

Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force field

JOURNAL ARTICLE published 2013 in Faraday Discuss.

Authors: Yun Luo | Wei Jiang | Haibo Yu | Alexander D. MacKerell | Benoît Roux

Single-walled carbon nanotube networks in conductive composite materials

JOURNAL ARTICLE published 29 May 2014 in Faraday Discuss.

Authors: Oana A. Bârsan | Günter G. Hoffmann | Leo G. J. van der Ven | G. (Bert) de With

Interplay of structural and dynamical heterogeneity in the nucleation mechanism in nickel

JOURNAL ARTICLE published 2022 in Faraday Discussions

Research funded by Engineering and Physical Sciences Research Council (EP/P020194/1,EP/T022213/1,EP/P022561/1) | Consejo Nacional de Ciencia y Tecnología (220644) | Isaac Newton Trust (20.40(h)) | Deutsche Forschungsgemeinschaft (428315600)

Authors: Grisell Díaz Leines | Angelos Michaelides | Jutta Rogal

Protic pharmaceuticalionic liquids and solids: Aspects of protonics

JOURNAL ARTICLE published 2012 in Faraday Discuss.

Authors: Jelena Stoimenovski | Pamela M. Dean | Ekaterina I. Izgorodina | Douglas R. MacFarlane

Co-doping of scandia–zirconia electrolytes for SOFCs

JOURNAL ARTICLE published 2007 in Faraday Discuss.

Authors: John T. S. Irvine | Jeremy W. L. Dobson | Tatiana Politova | Susana García Martín | Atef Shenouda

Synergetic effects of K⁺and Mg²⁺ion intercalation on the electrochemical and actuation properties of the two-dimensional Ti₃C₂MXene

JOURNAL ARTICLE published 2017 in Faraday Discussions

Authors: Qiang Gao | Jeremy Come | Michael Naguib | Stephen Jesse | Yury Gogotsi | Nina Balke

What happens to the structure of water in cryoprotectant solutions?

JOURNAL ARTICLE published 2013 in Faraday Discussions

Authors: James J. Towey | Alan K. Soper | Lorna Dougan

Simulation of homogeneous crystal nucleation close to coexistence

JOURNAL ARTICLE published 1996 in Faraday Discussions

Authors: Pieter-Rein ten Wolde | Maria J. Ruiz-Montero | Daan Frenkel

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JOURNAL ARTICLE published 2021 in Faraday Discussions

Monitoring plasmon coupling and SERS enhancement through in situ nanoparticle spacing modulation

JOURNAL ARTICLE published 2017 in Faraday Discussions

Research funded by H2020 European Research Council (NanoP,NanoPD) | H2020 Marie Skłodowska-Curie Actions (N-SHEAD) | Engineering and Physical Sciences Research Council (EP/L02098X/1) | Ministerio de Economía y Competitividad (MAT2013-46101-R)

Authors: L. Velleman | L. Scarabelli | D. Sikdar | A. A. Kornyshev | L. M. Liz-Marzán | J. B. Edel

Functionalized metal organic frameworks for effective capture of radioactive organic iodides

JOURNAL ARTICLE published 2017 in Faraday Discussions

Research funded by Basic Energy Sciences (DE-FG02-08ER-46491)

Authors: Baiyan Li | Xinglong Dong | Hao Wang | Dingxuan Ma | Kui Tan | Zhan Shi | Yves J. Chabal | Yu Han | Jing Li

Phenanthroline-based metal–organic frameworks for Fe-catalyzed C_sp3–H amination

JOURNAL ARTICLE published 2017 in Faraday Discussions

Research funded by National Science Foundation (CHE-1464941)

Authors: Nathan C. Thacker | Pengfei Ji | Zekai Lin | Ania Urban | Wenbin Lin

Electrotunable lubricity with ionic liquids: the influence of nanoscale roughness

JOURNAL ARTICLE published 2017 in Faraday Discussions

Research funded by Engineering and Physical Sciences Research Council (EP/J003859/1) | Israel Science Foundation (1316/13)

Authors: Alessio David | Oscar Y. Fajardo | Alexei A. Kornyshev | Michael Urbakh | Fernando Bresme

Use of near infrared spectroscopy for the rapid low-cost analysis of waste papers and cardboards

JOURNAL ARTICLE published 2017 in Faraday Discussions

Research funded by Seventh Framework Programme (227248-2)

Authors: D. J. M. Hayes | M. H. B. Hayes | J. J. Leahy

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JOURNAL ARTICLE published 2017 in Faraday Discussions

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JOURNAL ARTICLE published 2021 in Faraday Discussions

Unimolecular dissociation dynamics of electronically excited HCO(òA′′): rotational control of nonadiabatic decay

JOURNAL ARTICLE published 2022 in Faraday Discussions

Research funded by Division of Chemistry (CHE-1566636) | Office of Science (DE-SC0015997,SC0019740) | National Natural Science Foundation of China (21733006) | National Key Research and Development Program of China (2017YFA0206500)

Authors: Ge Sun | Shanyu Han | Xianfeng Zheng | Yu Song | Yuan Qin | Richard Dawes | Daiqian Xie | Jingsong Zhang | Hua Guo

Quantum resonances and roaming dynamics in formaldehyde photodissociation

JOURNAL ARTICLE published 2022 in Faraday Discussions

Research funded by Army Research Office (MURI W911NF-19-1-0283) | National Natural Science Foundation of China (22073073)

Authors: Casey D. Foley | Changjian Xie | Hua Guo | Arthur G. Suits