School of Chemistry

Search results

• Data underpinning "Laccase Redox Potentials: pH Dependence and Mutants - A QM/MM Study"

  Goetze, J. P. (Creator) & Buehl, M. (Creator), University of St Andrews, 24 Aug 2016

  DOI: 10.17630/c21c5cf3-6380-4428-9a8b-cca3c58498c6

  Dataset

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• Computational data for "Artificial Metalloenzymes as Catalysts for Oxidative Lignin Degradation"

  Colburn, J. D. (Creator), Goetze, J. P. (Creator) & Buehl, M. (Creator), University of St Andrews, 2018

  DOI: 10.17630/259affa7-75ae-495f-8d2a-7d9742d3ef13

  Dataset

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• Design of a highly active Pd Catalyst with P,N Hemilabile Ligands for alkoxycarbonylation of alkynes and allenes: a density functional theory study (dataset)

  Ahmad, S. (Creator) & Buehl, M. (Creator), University of St Andrews, 1 Aug 2019

  DOI: 10.17630/ce277b52-6fc0-442b-975b-1d80db5d8bb5

  Dataset

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• Origin of the diastereoselectivity of the heterogeneous hydrogenation of a substituted indolizine (dataset)

  Buehl, M. (Creator), PANGEA, 2020

  DOI: 10.1594/PANGAEA.881019

  Dataset

• Insights into the ruthenium-catalysed selective reduction of cardanol derivatives via transfer hydrogenation: a density functional theory study (dataset)

  Ahmad, S. (Creator), Bilal, M. (Creator), G. de Vries, J. (Creator) & Buehl, M. (Creator), University of St Andrews, 1 Mar 2023

  DOI: 10.17630/3b865cea-6293-4f90-9e57-1c030b8e3963

  Dataset

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• Characterization and photocatalytic behavior of 2,9-di(aryl)-1,10-phenanthroline copper(I) complexes (dataset)

  Cetin, M. M. (Creator), Hodson, R. T. (Creator), Hart, C. R. (Creator), Cordes, D. B. (Creator), Findlater, M. (Creator), Casadonte, Jr., D. J. C. J. (Creator), Cozzolino, A. F. (Creator) & Mayer, M. F. (Creator), Cambridge Crystallographic Data Centre, 2017

  https://dx.doi.org/10.5517/ccdc.csd.cc123hm9 and 3 more links, https://dx.doi.org/10.5517/ccdc.csd.cc123hnb, https://dx.doi.org/10.5517/ccdc.csd.cc123hpc, https://dx.doi.org/10.5517/ccdc.csd.cc123hqd (show fewer)

  Dataset

• Synthesis, structure, and reactivity of zwitterionic divalent rare-earth metal silanides (dataset)

  Thalangamaarachchige, V. D. (Creator), Unruh, D. K. (Creator), Cordes, D. B. (Creator) & Krempner, C. (Creator), Cambridge Crystallographic Data Centre, 2015

  https://dx.doi.org/10.5517/cc14808p and 3 more links, https://dx.doi.org/10.5517/cc14809q, https://dx.doi.org/10.5517/cc1480br, https://dx.doi.org/10.5517/cc1480cs (show fewer)

  Dataset

• Catalytic Hydrogenation of Urea Derivatives and Polyureas (Dataset)

  Kumar, A. (Creator) & Luk, J. (Contributor), University of St Andrews, 31 Jan 2022

  DOI: 10.17630/32359dd9-0aac-45aa-9848-c93b01d8d57d

  Dataset

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• CCDC 2360423 - 2360425 & 2323432 - 2323435: Experimental Crystal Structure Determination

  Walsh, A. M. (Creator), Sotorrios, L. (Creator), Cameron, R. G. (Creator), Pécharman, A.-F. (Creator), Procacci, B. (Creator), Lowe, J. P. (Creator), Macgregor, S. A. (Creator), Mahon, M. F. (Creator), Hunt, N. T. (Creator) & Whittlesey, M. K. (Creator), Cambridge Crystallographic Data Centre, 2024

  DOI: 10.5517/ccdc.csd.cc2k76pq, https://dx.doi.org/10.5517/ccdc.csd.cc2k76qr and 4 more links, https://dx.doi.org/10.5517/ccdc.csd.cc2k76rs, https://dx.doi.org/10.5517/ccdc.csd.cc2hzqfn, https://dx.doi.org/10.5517/ccdc.csd.cc2hzqgp, https://dx.doi.org/10.5517/ccdc.csd.cc2hzqhq (show fewer)

  Dataset

• CCDC 2370838: Experimental Crystal Structure Determination

  Fern, E. S. M. (Creator), Lunt, M. I. (Creator), Minch, G. D. (Creator), Roeterdink, J. (Creator), Rodriguez, A. P. S. (Creator), Smith, C. A. (Creator), Venters, J. J. (Creator), McKay, A. P. (Creator), Cordes, D. B. (Creator) & Chalmers, B. A. (Creator), Cambridge Crystallographic Data Centre, 2024

  DOI: 10.5517/ccdc.csd.cc2kl1nw

  Dataset

• CCDC 2383046: Experimental Crystal Structure Determination

  Ayoup, M. S. (Creator), Yasser, M. (Creator), Soliman, S. M. (Creator), Abdel-Hamid, H. (Creator), Cordes, D. B. (Creator), McKay, A. P. (Creator), Ghareeb, D. A. (Creator), Ashraf, S. (Creator) & Yousri, A. (Creator), Cambridge Crystallographic Data Centre, 10 Sept 2024

  DOI: 10.5517/ccdc.csd.cc2kzrgs

  Dataset

• Polar Magneto-optical Kerr Effect Plots

  Pancholi, K. (Creator), Stenning, G. G. B. (Contributor), Kumar, A. (Contributor) & Huo, D. (Contributor), Mendeley Data, 29 Sept 2023

  DOI: 10.17632/ttdhwkfvpg.1

  Dataset

• Dataset for Thermoelectric properties of the aliovalent half-Heusler alloy Zn0.5Ti0.5NiSb with intrinsic low thermal conductivity

  Kennedy, B. (Creator), Kimber, S. (Creator), Checchia, S. (Creator), Shawon, A. (Creator), Zevalkink, A. (Creator), Suard, E. (Creator), Buckman, J. (Creator) & Bos, J.-W. G. (Creator), University of St Andrews, 6 Nov 2023

  DOI: 10.17630/b9b0eaac-bd76-4ac9-8455-af7c1b735de1

  Dataset

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• CSD 2321459: Experimental Crystal Structure Determination

  Konar, S. (Creator), Zieniute, G. (Creator), Lascelles, E. (Creator), Wild, B. (Creator), Hermann, A. (Creator), Wang, Y. (Creator), Quinn, R. J. (Creator), Bos, J.-W. G. (Creator) & Fitch, A. (Creator), Cambridge Crystallographic Data Centre, 2024

  DOI: 10.5517/ccdc.csd.cc2hxnsw

  Dataset

• Oxygen migration pathways in layered LnBaCo2O6-δ (Ln = La – Y) perovskites (dataset)

  Hesse, F. (Creator), da Silva, I. (Creator) & Bos, J.-W. G. (Creator), University of St Andrews, 15 Apr 2024

  DOI: 10.17630/9aef7c64-45fa-4ecf-b9b9-08e100a47f10

  Dataset

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• Cobalt-Catalyzed Wagner–Meerwein Rearrangements with Concomitant Nucleophilic Hydrofluorination (dataset)

  Johnston, C. P. (Creator), Hoogesteger, R. H. (Owner), Murdoch, N. (Owner) & Cordes, D. B. (Contributor), University of St Andrews, 7 Jul 2023

  DOI: 10.17630/5944443f-21ce-4570-95c4-ee55c518f9c1

  Dataset

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• An extremely bulky tris(pyrazolyl)methanide: a tridentate ligand for the synthesis of heteroleptic magnesium(II) and ytterbium(II) alkyl, hydride, and iodide complexes (dataset)

  Lalrempuia, R. (Creator), Stasch, A. (Creator) & Jones, C. (Creator), Cambridge Crystallographic Data Centre, 2014

  https://dx.doi.org/10.5517/cc13db83 and 7 more links, https://dx.doi.org/10.5517/cc13db94, https://dx.doi.org/10.5517/cc13dbb5, https://dx.doi.org/10.5517/cc13dbc6, https://dx.doi.org/10.5517/cc13dbd7, https://dx.doi.org/10.5517/cc13dbf8, https://dx.doi.org/10.5517/cc13dbg9, https://dx.doi.org/10.5517/cc13dbhb (show fewer)

  Dataset

• Magnesium(I) dimers bearing tripodal diimine-enolate ligands: proficient reagents for the controlled reductive activation of CO2 and SO2 (dataset)

  Boutland, A. (Creator), Pernik, I. (Creator), Stasch, A. (Creator) & Jones, C. (Creator), Cambridge Crystallographic Data Centre, 2015

  https://dx.doi.org/10.5517/cc1jdxf8 and 7 more links, https://dx.doi.org/10.5517/cc1jdxg9, https://dx.doi.org/10.5517/cc1jdxhb, https://dx.doi.org/10.5517/cc1jdxjc, https://dx.doi.org/10.5517/cc1jdxkd, https://dx.doi.org/10.5517/cc1jdxlf, https://dx.doi.org/10.5517/cc1jdxmg, https://dx.doi.org/10.5517/cc1jdxnh (show fewer)

  Dataset

• Structural diversity in sterically demanding diiminophosphinato alkali metal complexes (dataset)

  Hawley, A. (Creator) & Stasch, A. (Creator), Cambridge Crystallographic Data Centre, 2014

  https://dx.doi.org/10.5517/cc13f9pj and 13 more links, https://dx.doi.org/10.5517/cc13f9qk, https://dx.doi.org/10.5517/cc13f9rl, https://dx.doi.org/10.5517/cc13f9sm, https://dx.doi.org/10.5517/cc13f9tn, https://dx.doi.org/10.5517/cc13f9vp, https://dx.doi.org/10.5517/cc13f9wq, https://dx.doi.org/10.5517/cc13f9xr, https://dx.doi.org/10.5517/cc13f9ys, https://dx.doi.org/10.5517/cc13f9zt, https://dx.doi.org/10.5517/cc13fb0w, https://dx.doi.org/10.5517/cc13fb1x, https://dx.doi.org/10.5517/cc13fb2y, https://dx.doi.org/10.5517/cc13fb3z (show fewer)

  Dataset

• Synthesis, characterization, and computational analysis of the dialanate dianion, [H3Al-AlH3]2− a valence isoelectronic analogue of ethane (dataset)

  Bonyhady, S. J. (Creator), Holzmann, N. (Creator), Frenking, G. (Creator), Stasch, A. (Creator) & Jones, C. (Creator), Cambridge Crystallographic Data Centre, 2016

  https://dx.doi.org/10.5517/ccdc.csd.cc1mrtls and 3 more links, https://dx.doi.org/10.5517/ccdc.csd.cc1mrtmt, https://dx.doi.org/10.5517/ccdc.csd.cc1mrtnv, https://dx.doi.org/10.5517/ccdc.csd.cc1mrtpw (show fewer)

  Dataset

• Accessing stable magnesium acyl compounds: reductive cleavage of esters by magnesium(I) dimers (dataset)

  Boutland, A. J. (Creator), Lamsfus, C. A. (Creator), Maitland, B. (Creator), Maron, L. (Creator), Stasch, A. (Creator) & Jones, C. (Creator), Cambridge Crystallographic Data Centre, 2017

  https://dx.doi.org/10.5517/ccdc.csd.cc1pb7s1 and 5 more links, https://dx.doi.org/10.5517/ccdc.csd.cc1pb7y6, https://dx.doi.org/10.5517/ccdc.csd.cc1pb7x5, https://dx.doi.org/10.5517/ccdc.csd.cc1pb7t2, https://dx.doi.org/10.5517/ccdc.csd.cc1pb7w4, https://dx.doi.org/10.5517/ccdc.csd.cc1pb7v3 (show fewer)

  Dataset

• Heavier group 13 metal(I) heterocycles stabilized by sterically demanding diiminophosphinates (dataset)

  Hawley (Andrew Hawley), A. L. (Creator), Ohlin (C. Andre Ohlin), C. A. (Creator), Fohlmeister, L. (Creator) & Stasch, A. (Creator), Cambridge Crystallographic Data Centre, 9 Dec 2016

  https://dx.doi.org/10.5517/ccdc.csd.cc1mgyqr and 4 more links, https://dx.doi.org/10.5517/ccdc.csd.cc1mgyrs, https://dx.doi.org/10.5517/ccdc.csd.cc1mgyst, https://dx.doi.org/10.5517/ccdc.csd.cc1mgytv, https://dx.doi.org/10.5517/ccdc.csd.cc1mgyvw (show fewer)

  Dataset

• CCDC 2077565 - 2077567: Experimental Crystal Structure Determination

  Tamosiunaite, N. (Creator), Logie, L. C. (Creator), Neale, S. E. (Creator), Singh, K. (Creator), Davies, D. L. (Creator) & Macgregor, S. A. (Creator), Cambridge Crystallographic Data Centre, 2021

  DOI: 10.5517/ccdc.csd.cc27qw73, https://dx.doi.org/10.5517/ccdc.csd.cc27qw84 and one more link, https://dx.doi.org/10.5517/ccdc.csd.cc27qw95 (show fewer)

  Dataset

• Highly electron rich β-diketiminato systems (dataset)

  Do, D. C. H. (Creator), Keyser, A. (Creator), Protchenko, A. V. (Creator), Maitland, B. (Creator), Pernik, I. (Creator), Niu, H. (Creator), Rit, A. (Creator), Vidovic, D. (Creator), Stasch, A. (Creator), Jones, C. (Creator) & Aldridge, S. (Creator), Cambridge Crystallographic Data Centre, 17 Jan 2017

  https://dx.doi.org/10.5517/ccdc.csd.cc1n90kj and 18 more links, https://dx.doi.org/10.5517/ccdc.csd.cc1n90lk, https://dx.doi.org/10.5517/ccdc.csd.cc1n90ml, https://dx.doi.org/10.5517/ccdc.csd.cc1n90nm, https://dx.doi.org/10.5517/ccdc.csd.cc1n90pn, https://dx.doi.org/10.5517/ccdc.csd.cc1n90qp, https://dx.doi.org/10.5517/ccdc.csd.cc1n90rq, https://dx.doi.org/10.5517/ccdc.csd.cc1n90sr, https://dx.doi.org/10.5517/ccdc.csd.cc1n90ts, https://dx.doi.org/10.5517/ccdc.csd.cc1n90vt, https://dx.doi.org/10.5517/ccdc.csd.cc1n90wv, https://dx.doi.org/10.5517/ccdc.csd.cc1n90xw, https://dx.doi.org/10.5517/ccdc.csd.cc1n90zy, https://dx.doi.org/10.5517/ccdc.csd.cc1n9100, https://dx.doi.org/10.5517/ccdc.csd.cc1n9111, https://dx.doi.org/10.5517/ccdc.csd.cc1n9122, https://dx.doi.org/10.5517/ccdc.csd.cc1n9133, https://dx.doi.org/10.5517/ccdc.csd.cc1n9144, https://dx.doi.org/10.5517/ccdc.csd.cc1n90yx (show fewer)

  Dataset

• Data underpinning - Elastic and anelastic relaxation behaviour of perovskite multiferroics I: PbZr0.53Ti0.47O3(PZT)-PbFe0.5Nb0.5O3(PNF) and Elastic and anelastic relaxation behaviour of perovskite multiferroics II: PbZr0.53Ti0.47O3(PZT)-PbFe0.5Ta0.5O3(PFT)

  Schiemer, J. A. (Creator), Lascu, I. (Creator), Harrison, R. J. (Creator), Kumar, A. (Creator), Katiyar, R. S. (Creator), Sanchez, D. A. (Creator), Ortega, N. (Creator), Mejia, C. S. (Creator), Schnelle, W. (Creator), Shinohara, H. (Creator), Heap, A. J. F. (Creator), Nagaratnam, R. (Creator), Dutton, S. E. (Creator), Scott, J. F. (Creator), Nair, B. (Creator), Mathur, N. D. (Creator) & Carpenter, M. A. (Creator), University of Cambridge, 30 Aug 2016

  http://eprints.esc.cam.ac.uk/id/eprint/3748

  Dataset