Zobrazeno 1 - 10
of 559
pro vyhledávání: '"Deeth, RJ"'
Autor:
Deeth RJ; Department of Chemistry, University of Warwick, CV4 7AL, UK. r.j.deeth@warwick.ac.uk.
Publikováno v:
Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2024 Jul 03; Vol. 26 (26), pp. 18138-18148. Date of Electronic Publication: 2024 Jul 03.
Autor:
Rulíšek L; Guest Editor QBIC Special Collection, Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Flemingovo náměstí 2, 166 10 Praha 6, Czech Republic., Gruden M; Guest Editor QBIC Special Collection, Faculty of Chemistry, University of Belgrade, Studentski Trg 12-16, 11001, Belgrade, Serbia., Orio M; Guest Editor QBIC Special Collection, Aix-Marseille Univ, CNRS, Centrale Marseille, iSm2, Marseille, France., Deeth RJ; President QBIC Society, Department of Chemistry, University of Warwick Coventry CV4 7AL, UK.
Publikováno v:
Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2022 Sep 01; Vol. 28 (49), pp. e202202185. Date of Electronic Publication: 2022 Aug 25.
Autor:
Buchhorn M; TU Darmstadt, Department of Chemistry, Theoretical Chemistry, Alarich-Weiss-Straße 4, 64287, Darmstadt, Germany., Deeth RJ; University of Warwick, Department of Chemistry, University of Warwick, Gibbet Hill, Coventry, CV4 7AL, United Kingdom., Krewald V; TU Darmstadt, Department of Chemistry, Theoretical Chemistry, Alarich-Weiss-Straße 4, 64287, Darmstadt, Germany.
Publikováno v:
Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2022 Feb 16; Vol. 28 (9), pp. e202103775. Date of Electronic Publication: 2022 Feb 02.
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
Autor:
Deeth RJ; Department of Chemistry, University of Warwick, Coventry CV4 7AL, UK. r.j.deeth@warwick.ac.uk.
Publikováno v:
Dalton transactions (Cambridge, England : 2003) [Dalton Trans] 2020 Jul 21; Vol. 49 (28), pp. 9641-9650.
Autor:
Alzahrani KAH; Department of Chemistry, King Abdulaziz University, Jeddah, 21589, Saudi Arabia., Deeth RJ; Inorganic Computational Chemistry Group, Department of Chemistry, University of Warwick, Coventry, CV4 7AL, United Kingdom.
Publikováno v:
Journal of computational chemistry [J Comput Chem] 2020 Feb 05; Vol. 41 (4), pp. 340-348. Date of Electronic Publication: 2019 Nov 14.
Autor:
Mutter ST; School of Chemistry, Cardiff University, Park Place, Cardiff, CF10 3AT, UK., Turner M; School of Chemistry, Cardiff University, Park Place, Cardiff, CF10 3AT, UK., Deeth RJ; Department of Chemistry, University of Warwick, Gibbet Hill, Coventry, CV4 7AL, UK., Platts JA; School of Chemistry, Cardiff University, Park Place, Cardiff, CF10 3AT, UK.
Publikováno v:
Heliyon [Heliyon] 2019 Dec 31; Vol. 6 (1), pp. e03071. Date of Electronic Publication: 2019 Dec 31 (Print Publication: 2020).
Autor:
Mutter ST; School of Chemistry , Cardiff University , Park Place , Cardiff CF10 3AT , United Kingdom., Turner M; School of Chemistry , Cardiff University , Park Place , Cardiff CF10 3AT , United Kingdom., Deeth RJ; Department of Chemistry , University of Warwick , Gibbet Hill , Coventry CV4 7AL , United Kingdom., Platts JA; School of Chemistry , Cardiff University , Park Place , Cardiff CF10 3AT , United Kingdom.
Publikováno v:
ACS chemical neuroscience [ACS Chem Neurosci] 2018 Nov 21; Vol. 9 (11), pp. 2795-2806. Date of Electronic Publication: 2018 Jun 28.
Autor:
Deeth RJ; Department of Chemistry, University of Warwick, Coventry, CV4 7AL, UK.; Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY, UK., Halcrow MA; School of Chemistry, University of Leeds, Leeds, LS2 9JT, UK., Kershaw Cook LJ; Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY, UK., Raithby PR; Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY, UK.
Publikováno v:
Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2018 Apr 06; Vol. 24 (20), pp. 5204-5212. Date of Electronic Publication: 2017 Dec 11.
Autor:
Bernhardt PV; School of Chemistry and Molecular Biosciences, University of Queensland, Brisbane, 4072, Australia., Bilyj JK; School of Chemistry and Molecular Biosciences, University of Queensland, Brisbane, 4072, Australia., Brosius V; School of Chemistry and Molecular Biosciences, University of Queensland, Brisbane, 4072, Australia., Chernyshov D; European Synchrotron Radiation Facility, 71 Avenue des Martyrs, Grenoble, 38000, France., Deeth RJ; Department of Chemistry, University of Warwick, Coventry, CV4 7AL, UK.; Present address: Department of Chemistry, University of Bath, Claverton Down, Bath, BA2 7AY, UK., Foscato M; Department of Chemistry, University of Bergen, Allégaten 41, 5007, Bergen, Norway., Jensen VR; Department of Chemistry, University of Bergen, Allégaten 41, 5007, Bergen, Norway., Mertes N; School of Chemistry and Molecular Biosciences, University of Queensland, Brisbane, 4072, Australia., Riley MJ; School of Chemistry and Molecular Biosciences, University of Queensland, Brisbane, 4072, Australia., Törnroos KW; Department of Chemistry, University of Bergen, Allégaten 41, 5007, Bergen, Norway.
Publikováno v:
Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2018 Apr 06; Vol. 24 (20), pp. 5082-5085. Date of Electronic Publication: 2018 Jan 29.