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pro vyhledávání: '"Kershaw Cook, LJ"'
A ligand field molecular mechanics (LFMM) force field has been constructed for the spin states of [Fe(bpp)₂]²+ (bpp = 2,6-di(pyrazol-1-yl)pyridine) and related complexes. A new charge scheme is employed which interpolates between partial charges f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=core_ac_uk__::1d372dfebebb966666f08ab33bf6fbf3
Extensive studies of various families of conjugated molecules in metal|molecule|metal junctions suggest that the mechanism of conductance is usually tunnelling for molecular lengths < ca. 4 nm, and that for longer molecules, coherence is lost as a ho
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=core_ac_uk__::cbfb2ea2ff0821a815620f112d0b73b5
Autor:
Markad D; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Kershaw Cook LJ; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Pétuya R; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Yan Y; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Gilford O; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Verma A; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Mali BP; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Robertson CM; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Berry NG; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Darling GR; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Dyer MS; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Antypov D; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Katsoulidis AP; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Rosseinsky MJ; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom.
Publikováno v:
Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2024 Aug 21, pp. e202411960. Date of Electronic Publication: 2024 Aug 21.
Autor:
Scholes AM; Department of Chemistry and Materials Innovation Factory, School of Physical Sciences, University of Liverpool UK anna.slater@liverpool.ac.uk., Kershaw Cook LJ; Department of Chemistry and Materials Innovation Factory, School of Physical Sciences, University of Liverpool UK anna.slater@liverpool.ac.uk., Szczypiński FT; Department of Chemistry and Materials Innovation Factory, School of Physical Sciences, University of Liverpool UK anna.slater@liverpool.ac.uk., Luzyanin KV; Department of Chemistry and Materials Innovation Factory, School of Physical Sciences, University of Liverpool UK anna.slater@liverpool.ac.uk., Egleston BD; Department of Chemistry, Molecular Sciences Research Hub Imperial College London London UK., Greenaway RL; Department of Chemistry, Molecular Sciences Research Hub Imperial College London London UK., Slater AG; Department of Chemistry and Materials Innovation Factory, School of Physical Sciences, University of Liverpool UK anna.slater@liverpool.ac.uk.
Publikováno v:
Chemical science [Chem Sci] 2024 Aug 13. Date of Electronic Publication: 2024 Aug 13.
Autor:
Kopp RO; Institute of Chemistry and Biochemistry, Freie Universität Berlin Fabeckstr. 34/36 14195 Berlin Germany c.mueller@fu-berlin.de., Kleynemeyer SL; Institute of Chemistry and Biochemistry, Freie Universität Berlin Fabeckstr. 34/36 14195 Berlin Germany c.mueller@fu-berlin.de., Groth LJ; Institute of Chemistry and Biochemistry, Freie Universität Berlin Fabeckstr. 34/36 14195 Berlin Germany c.mueller@fu-berlin.de., Ernst MJ; Institute of Chemistry and Biochemistry, Freie Universität Berlin Fabeckstr. 34/36 14195 Berlin Germany c.mueller@fu-berlin.de., Rupf SM; Institute of Chemistry and Biochemistry, Freie Universität Berlin Fabeckstr. 34/36 14195 Berlin Germany c.mueller@fu-berlin.de., Weber M; Institute of Chemistry and Biochemistry, Freie Universität Berlin Fabeckstr. 34/36 14195 Berlin Germany c.mueller@fu-berlin.de., Kershaw Cook LJ; Department of Chemistry and Materials Innovation Factory, University of Liverpool Crown Street Liverpool L69 7ZD UK., Coles NT; Institute of Chemistry and Biochemistry, Freie Universität Berlin Fabeckstr. 34/36 14195 Berlin Germany c.mueller@fu-berlin.de.; School of Chemistry, University of Nottingham, University Park Nottingham NG7 2RD UK Nathan.Coles@nottingham.ac.uk., Neale SE; Department of Chemistry, University of Bath Claverton Down Bath BA2 7AY UK sen36@bath.ac.uk., Müller C; Institute of Chemistry and Biochemistry, Freie Universität Berlin Fabeckstr. 34/36 14195 Berlin Germany c.mueller@fu-berlin.de.
Publikováno v:
Chemical science [Chem Sci] 2024 Mar 14; Vol. 15 (15), pp. 5496-5506. Date of Electronic Publication: 2024 Mar 14 (Print Publication: 2024).
Autor:
Jones CD; Department of Chemistry, Durham University, Durham DH1 3LE, U.K., Kershaw Cook LJ; Department of Chemistry and Materials Innovation Factory, University of Liverpool, Crown Street, Liverpool L69 7ZD, U.K., Slater AG; Department of Chemistry and Materials Innovation Factory, University of Liverpool, Crown Street, Liverpool L69 7ZD, U.K., Yufit DS; Department of Chemistry, Durham University, Durham DH1 3LE, U.K., Steed JW; Department of Chemistry, Durham University, Durham DH1 3LE, U.K.
Publikováno v:
Chemistry of materials : a publication of the American Chemical Society [Chem Mater] 2024 Mar 09; Vol. 36 (6), pp. 2799-2809. Date of Electronic Publication: 2024 Mar 09 (Print Publication: 2024).
Autor:
Kulmaczewski R; School of Chemistry, University of Leeds, Woodhouse Lane, Leeds LS2 9JT, U.K., Kershaw Cook LJ; School of Chemistry, University of Leeds, Woodhouse Lane, Leeds LS2 9JT, U.K., Pask CM; School of Chemistry, University of Leeds, Woodhouse Lane, Leeds LS2 9JT, U.K., Cespedes O; School of Physics and Astronomy, University of Leeds, E. C. Stoner Building, Leeds LS2 9JT, U.K., Halcrow MA; School of Chemistry, University of Leeds, Woodhouse Lane, Leeds LS2 9JT, U.K.
Publikováno v:
Crystal growth & design [Cryst Growth Des] 2022 Mar 02; Vol. 22 (3), pp. 1960-1971. Date of Electronic Publication: 2022 Feb 04.
Autor:
Han G; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Vasylenko A; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Neale AR; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom.; Stephenson Institute for Renewable Energy, University of Liverpool, Peach Street, Liverpool L69 7ZF, United Kingdom., Duff BB; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom.; Stephenson Institute for Renewable Energy, University of Liverpool, Peach Street, Liverpool L69 7ZF, United Kingdom., Chen R; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Dyer MS; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Dang Y; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Daniels LM; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Zanella M; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Robertson CM; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Kershaw Cook LJ; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Hansen AL; Institute for Applied Materials - Energy Storage Systems, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany., Knapp M; Institute for Applied Materials - Energy Storage Systems, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany., Hardwick LJ; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom.; Stephenson Institute for Renewable Energy, University of Liverpool, Peach Street, Liverpool L69 7ZF, United Kingdom., Blanc F; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom.; Stephenson Institute for Renewable Energy, University of Liverpool, Peach Street, Liverpool L69 7ZF, United Kingdom., Claridge JB; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom., Rosseinsky MJ; Department of Chemistry, University of Liverpool, Crown Street, Liverpool, L69 7ZD, United Kingdom.
Publikováno v:
Journal of the American Chemical Society [J Am Chem Soc] 2021 Nov 03; Vol. 143 (43), pp. 18216-18232. Date of Electronic Publication: 2021 Oct 22.
Autor:
Jones CD; Department of Chemistry and Materials Innovation Factory, University of Liverpool, Crown Street, Liverpool L69 7ZD, U.K., Kershaw Cook LJ; Department of Chemistry and Materials Innovation Factory, University of Liverpool, Crown Street, Liverpool L69 7ZD, U.K., Marquez-Gamez D; Department of Chemistry and Materials Innovation Factory, University of Liverpool, Crown Street, Liverpool L69 7ZD, U.K., Luzyanin KV; Department of Chemistry and Materials Innovation Factory, University of Liverpool, Crown Street, Liverpool L69 7ZD, U.K., Steed JW; Department of Chemistry, Durham University, South Road, Durham DH1 3LE, U.K., Slater AG; Department of Chemistry and Materials Innovation Factory, University of Liverpool, Crown Street, Liverpool L69 7ZD, U.K.
Publikováno v:
Journal of the American Chemical Society [J Am Chem Soc] 2021 May 19; Vol. 143 (19), pp. 7553-7565. Date of Electronic Publication: 2021 May 07.
Autor:
Vriza A; Department of Chemistry and Materials Innovation Factory, University of Liverpool 51 Oxford Street Liverpool L7 3NY UK M.S.Dyer@liverpool.ac.uk.; Leverhulme Research Centre for Functional Materials Design, University of Liverpool Oxford Street Liverpool L7 3NY UK., Canaj AB; Department of Chemistry and Materials Innovation Factory, University of Liverpool 51 Oxford Street Liverpool L7 3NY UK M.S.Dyer@liverpool.ac.uk., Vismara R; Department of Chemistry and Materials Innovation Factory, University of Liverpool 51 Oxford Street Liverpool L7 3NY UK M.S.Dyer@liverpool.ac.uk., Kershaw Cook LJ; Department of Chemistry and Materials Innovation Factory, University of Liverpool 51 Oxford Street Liverpool L7 3NY UK M.S.Dyer@liverpool.ac.uk., Manning TD; Department of Chemistry and Materials Innovation Factory, University of Liverpool 51 Oxford Street Liverpool L7 3NY UK M.S.Dyer@liverpool.ac.uk., Gaultois MW; Department of Chemistry and Materials Innovation Factory, University of Liverpool 51 Oxford Street Liverpool L7 3NY UK M.S.Dyer@liverpool.ac.uk.; Leverhulme Research Centre for Functional Materials Design, University of Liverpool Oxford Street Liverpool L7 3NY UK., Wood PA; Cambridge Crystallographic Data Centre 12 Union Road Cambridge CB2 1EZ UK., Kurlin V; Materials Innovation Factory, Computer Science Department, University of Liverpool Liverpool L69 3BX UK., Berry N; Department of Chemistry and Materials Innovation Factory, University of Liverpool 51 Oxford Street Liverpool L7 3NY UK M.S.Dyer@liverpool.ac.uk., Dyer MS; Department of Chemistry and Materials Innovation Factory, University of Liverpool 51 Oxford Street Liverpool L7 3NY UK M.S.Dyer@liverpool.ac.uk.; Leverhulme Research Centre for Functional Materials Design, University of Liverpool Oxford Street Liverpool L7 3NY UK., Rosseinsky MJ; Department of Chemistry and Materials Innovation Factory, University of Liverpool 51 Oxford Street Liverpool L7 3NY UK M.S.Dyer@liverpool.ac.uk.; Leverhulme Research Centre for Functional Materials Design, University of Liverpool Oxford Street Liverpool L7 3NY UK.
Publikováno v:
Chemical science [Chem Sci] 2020 Dec 08; Vol. 12 (5), pp. 1702-1719. Date of Electronic Publication: 2020 Dec 08.