School of Chemistry

Search results

• CCDC 1895514 - 1895519: Experimental Crystal Structure Determination

  Johnson, A. (Creator), Martínez-Martínez, A. J. (Creator), Macgregor, S. A. (Creator) & Weller, A. S. (Creator), Cambridge Crystallographic Data Centre, 2019

  DOI: 10.5517/ccdc.csd.cc21mfmr, https://dx.doi.org/10.5517/ccdc.csd.cc21mfns and 4 more links, https://dx.doi.org/10.5517/ccdc.csd.cc21mfpt, https://dx.doi.org/10.5517/ccdc.csd.cc21mfqv, https://dx.doi.org/10.5517/ccdc.csd.cc21mfrw, https://dx.doi.org/10.5517/ccdc.csd.cc21mfsx (show fewer)

  Dataset

• CCDC 1530724 - 1530730: Experimental Crystal Structure Determination

  Lau, S. (Creator), Ward, B. (Creator), Zhou, X. (Creator), White, A. J. P. (Creator), Casely, I. J. (Creator), Macgregor, S. A. (Creator) & Crimmin, M. R. (Creator), Cambridge Crystallographic Data Centre, 2017

  DOI: 10.5517/ccdc.csd.cc1ncv62, https://dx.doi.org/10.5517/ccdc.csd.cc1ncv73 and 5 more links, https://dx.doi.org/10.5517/ccdc.csd.cc1ncv84, https://dx.doi.org/10.5517/ccdc.csd.cc1ncv95, https://dx.doi.org/10.5517/ccdc.csd.cc1ncvb6, https://dx.doi.org/10.5517/ccdc.csd.cc1ncvc7, https://dx.doi.org/10.5517/ccdc.csd.cc1ncvd8 (show fewer)

  Dataset

• Light-mediated catalytic enantioselective difluoroalkylation of β-ketoesters via phase-transfer catalysis (dataset)

  Johnston, C. P. (Creator) & Adams, C. (Owner), University of St Andrews, 31 Jul 2024

  DOI: 10.17630/301fa354-0637-4065-a526-fbc7c3a3f462

  Dataset

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• Panchromatic Ru(II)-polypyridyl complexes as NIR emitters (dataset)

  Pal, A. K. (Creator) & Adusumalli , V. N. K. B. (Creator), Cambridge Crystallographic Data Centre, 2019

  https://dx.doi.org/10.5517/ccdc.csd.cc1zwl7p

  Dataset

• A periplasmic depolymerase provides new insight into ABC transporter-dependent secretion of bacterial capsular polysaccharides (PDB entry 6FI2)

  Naismith, J. H. (Creator), McMahon, S. A. (Creator), Le Bas, A. (Creator), Liston, S. D. (Creator) & Whitfield, C. (Creator), Protein Data Bank (PDB), 22 May 2018

  DOI: 10.2210/pdb6FI2/pdb, https://www.rcsb.org/structure/6FI2

  Dataset

• Rohit Singh Chauhan CCDC 2011024: Experimental Crystal Structure Determination

  Cordes, D. B. (Creator), Cambridge Crystallographic Data Centre, 22 Jun 2020

  DOI: 10.5517/ccdc.csd.cc25hmr2

  Dataset

• Palladium–catalysed Alkyne Alkoxycarbonylation with P,N Chelating Ligands Revisited: A Density Functional Theory Study (dataset)

  Ahmad, S. (Creator), Lockett, A. (Creator), Shuttleworth, T. (Creator), Miles-Hobbs, A. (Creator), Pringle, P. (Creator) & Buehl, M. (Creator), University of St Andrews, 16 Apr 2019

  DOI: 10.17630/3cd991ad-1c2e-4a28-8684-07687c7287db

  Dataset

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• Ab initio molecular dynamics investigation of beryllium complexes (dataset)

  Raymond, O. (Creator), Buehl, M. (Creator), Lane, J. (Creator), Henderson, W. (Creator), Brothers, P. (Creator) & Plieger, P. (Creator), University of St Andrews, 2020

  DOI: 10.17630/9f3287e3-5f1a-4f34-a2a3-caf16293b189

  Dataset

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• Computational modelling of Pd-catalysed alkoxycarbonylation of alkenes and alkynes (dataset)

  Buehl, M. (Creator) & Ahmad, S. (Creator), University of St Andrews, 2021

  DOI: 10.17630/1ddd6203-1b51-457b-acf9-4a77ae2e93f5

  Dataset

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• Data underpinning Edoardo Fusco's thesis

  Fusco, E. (Creator) & Buehl, M. (Supervisor), University of St Andrews, 7 May 2026

  DOI: 10.17630/4d5d371d-3c16-4e21-98dc-85b09b64cf1d, https://doi.org/10.17630/sta/887

  Dataset: Thesis dataset

• The influence of El Niño Southern Oscillation on the population dynamics of oceanic manta rays in the Mexican Pacific (dataset)

  Marques, T. A. (Creator), GitHub, 2022

  https://github.com/MadalenaCabral/Rcode-for-MarkRecap-analysis.git

  Dataset

• Manganese catalysed dehydrogenative synthesis of urea derivatives and polyureas (dataset)

  Owen, A. E. (Contributor), Preiss, A. (Contributor), Mcluskie, A. (Contributor), Gao, C. (Contributor), Peters, G. (Contributor), Buehl, M. (Owner) & Kumar, A. (Creator), University of St Andrews, 28 May 2022

  DOI: 10.17630/a924bc5f-7d77-4372-b0c3-69d02ef1d090

  Dataset

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• Predicting Ruthenium Catalysed Hydrogenation of Esters Using Machine Learning (dataset)

  Mishra, C. (Contributor), von Wolff, N. (Contributor), Tripathi, A. (Creator), Brodie, C. N. (Contributor), Lawrence, N. (Contributor), Ravuri, A. (Contributor), Brémond, E. (Contributor), Preiss, A. (Contributor) & Kumar, A. (Creator), University of St Andrews, 9 May 2023

  DOI: 10.17630/0052eb13-a2d1-4d7a-9485-d5b2e247e63d

  Dataset

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• Direct Synthesis of Partially Ethoxylated Branched Polyethylenimine from Ethanolamine (dataset)

  Brodie, C. N. (Creator), Goodfellow, A. S. (Contributor), Andrews, M. (Contributor), Owen, A. E. (Contributor), Buehl, M. (Contributor) & Kumar, A. (Creator), University of St Andrews, 30 Jul 2024

  DOI: 10.17630/b31cd4a0-ad35-439d-a14c-e5a9e1ad4d48

  Dataset

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• Exploiting Decarbonylation and Dehydrogenation of Formamides for the Synthesis of Ureas, Polyureas, and Poly(urea-urethanes) (dataset)

  Luk, J. (Contributor), Goodfellow, A. S. (Contributor), More, N. D. (Contributor), Buehl, M. (Creator) & Kumar, A. (Creator), University of St Andrews, 6 Sept 2024

  DOI: 10.17630/00c4273b-ec5d-45d0-998a-c6dec75789ae

  Dataset

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• Computational Studies of Earth Abundant and Organo- Catalytic Systems (thesis dataset)

  Goodfellow, A. S. (Creator) & Buehl, M. (Supervisor), University of St Andrews, 1 Oct 2026

  DOI: 10.17630/088af6af-aa20-49a8-b70a-97aa1d8cf91f

  Dataset: Thesis dataset

• Structure of the cyanobactin oxidase ThcOx from Cyanothece sp. PCC 7425, the first structure to be solved at the Diamond Light Source Beamline I23 by means of S-SAD (dataset)

  Bent, A. F. (Creator), Mann, G. (Creator), Houssen, W. (Creator), Mykhaylyk, V. (Creator), Duman, R. (Creator), Thomas, L. (Creator), Jaspars, M. (Creator), Wagner, A. (Creator) & Naismith, J. H. (Creator), Protein Data Bank in Europe (PDBe), 2016

  DOI: 10.2210/pdb5LQ4/pdb, http://www.ebi.ac.uk/pdbe/entry/pdb/5lq4 and one more link, https://www.rcsb.org/structure/5lq4 (show fewer)

  Dataset

• Data underpinning: Why do sequence signatures predict enzyme mechanism? Homology versus Chemistry

  Beattie, K. (Creator), De Ferrari, L. (Creator) & Mitchell, J. B. O. (Creator), SAGE Publications Ltd STM, 2015

  http://www.la-press.com/why-do-sequence-signatures-predict-enzyme-mechanism-homology-versus-ch-article-a5293

  Dataset

• Practical application of a Bayesian network approach to poultry epigenetics and stress (dataset)

  Videla Rodriguez, E. A. (Creator) & Mitchell, J. B. O. (Creator), European Nucleotide Archive (ENA), 2022

  https://www.ebi.ac.uk/ena/browser/view/PRJEB34868?show=reads

  Dataset

• CCDC 2293455: Experimental Crystal Structure Determination

  Manan, M. A. F. A. (Creator), Cordes, D. B. (Creator), McKay, A. P. (Creator), Mohammat, M. F. (Creator), Aluwi, M. F. F. M. (Creator) & Jumali, N. S. (Creator), Cambridge Crystallographic Data Centre, 2023

  DOI: 10.5517/ccdc.csd.cc2gzjff

  Dataset

• CCDC 2388258: Experimental Crystal Structure Determination

  Manan, M. A. F. A. (Creator), Cordes, D. B. (Creator) & McKay, A. P. (Creator), Cambridge Crystallographic Data Centre, 2024

  DOI: 10.5517/ccdc.csd.cc2l55lk

  Dataset

• Implementation of a simple functionalisation of graphene (Gii-Sens) in the determination of a suitable linker for use in biocatalytic devices [dataset]

  Schaub, R. (Creator) & Treanor, M. J. (Creator), University of St Andrews, 7 Oct 2024

  DOI: 10.17630/6066eb45-f603-40aa-aa97-4e61c7523af7

  Dataset

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• CCDC 2411088: Experimental Crystal Structure Determination

  Rashid, F. N. A. A. (Creator), Mohammat, M. F. (Creator), Manan, M. A. F. A. (Creator), Afendy, A. A. A. B. (Creator), Cordes, D. B. (Creator) & McKay, A. P. (Creator), Cambridge Crystallographic Data Centre, 2024

  DOI: 10.5517/ccdc.csd.cc2lxy1j

  Dataset

• Critical mode and band-gap-controlled bipolar thermoelectric properties of SnSe

  Loa, I. (Creator), Bos, J.-W. G. (Creator), Popuri, S. R. (Creator) & Fortes, A. D. (Creator), University of Edinburgh, 2018

  DOI: 10.7488/ds/2401

  Dataset

• Alloying and doping control in the layered metal phosphide thermoelectric CaCuP (dataset)

  Quinn, R. (Creator), Biswas, R. (Creator) & Bos, J.-W. G. (Creator), University of St Andrews, 28 Sept 2023

  DOI: 10.17630/1ddefe3e-34e9-4319-93bf-2de49185d65e

  Dataset

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