Chemistry

Search results

• Data from the paper "Dyes in liquid crystals: experimental and computational studies of a guest-host system based on a combined DFT and MD approach"

  Moore, J. (Supervisor), Sims, M. T. (Creator), Abbott, L. C. (Contributor), Cowling, S. J. (Contributor) & Goodby, J. W. (Supervisor), University of York, 2015

  DOI: 10.15124/72d38707-9c5f-4169-8dee-a1887c3412d2

  Dataset

• Dataset for A comprehensive understanding of carbon-carbon bond formation by alkyne migratory insertion into manganacycles

  Lynam, J. M. (Creator), University of York, 19 Jul 2022

  DOI: 10.15124/8ccc891d-15a5-4a79-986b-6d20b3777d59

  Dataset

• Data to support Metal-mediated catalytic polarisation transfer from parahydrogen to 3,5-dihalogenated pyridines

  Duckett, S. B. (Creator) & Tickner, B. (Creator), University of York, 3 Jan 2024

  DOI: 10.15124/80e1a3d8-84a6-4194-b357-81c8883a56ea

  Dataset

• IceBreaker: Software for high-resolution single-particle cryo-EM with non-uniform ice

  Cowtan, K. D. (Creator), Zenodo, 10 Aug 2020

  DOI: 10.5281/zenodo.5743790, https://zenodo.org/record/5743790

  Dataset

• 2019 EMDataResource Model Metrics Challenge Dataset

  Lawson, C. L. (Creator), Kryshtafovych, A. (Creator), Adams, P. D. (Creator), Afonine, P. V. (Creator), Baker, M. L. (Creator), Barad, B. A. (Creator), Bond, P. (Creator), Burnley, T. (Creator), Cao, R. (Creator), Cheng, J. (Creator), Chojnowski, G. (Creator), Cowtan, K. (Creator), Dill, K. (Creator), DiMaio, F. (Creator), Farrell, D. P. (Creator), Fraser, J. S. (Creator), Herzik, M. A. J. (Creator), Hoh, S. W. (Creator), Hou, J. (Creator), Hung, L.-W. (Creator), Igaev, M. (Creator), Joseph, A. P. (Creator), Kihara, D. (Creator), Kumar, D. (Creator), Mittal, S. (Creator), Monastryrskyy, B. (Creator), Olek, M. (Creator), Palmer, C. M. (Creator), Patwardhan, A. (Creator), Perez, A. (Creator), Pfab, J. (Creator), Pintilie, G. D. (Creator), Richardson, J. S. (Creator), Sarkar, D. (Creator), Schäfer, L. U. (Creator), Schmid, M. F. (Creator), Schröder, G. F. (Creator), Shekhar, M. (Creator), Si, D. (Creator), Singharoy, A. (Creator), Terashi, G. (Creator), Terwilliger, T. C. (Creator), Vaiana, A. (Creator), Wang, L. (Creator), Wankowicz, S. A. (Creator), Williams, C. J. (Creator), Winn, M. (Creator), Wu, T. (Creator), Yu, X. (Creator), Zhang, K. (Creator), Berman, H. M. (Creator) & Chiu, W. (Creator), Zenodo, 28 Oct 2020

  DOI: 10.5281/zenodo.4148789

  Dataset

• Data from: Nitrogen availability and plant-plant interactions drive leaf silicon concentration in wheat genotypes

  de Tombeur, F. (Creator), Lemoine, T. (Creator), Violle, C. (Creator), Fréville, H. (Creator), Thorne, S. (Creator), Hartley, S. (Creator), Lambers, H. (Creator) & Fort, F. (Creator), Zenodo, 22 Aug 2022

  DOI: 10.5061/dryad.x3ffbg7nj

  Dataset

• Data associated with 'Second-harmonic generation and the influence of flexoelectricity in the nematic phases of bent-core oxadiazoles'

  Addis, J. (Creator), Kaur, S. (Creator), Binks, D. (Creator), Dickinson, M. (Creator), Greco, C. (Creator), Ferrarini, A. (Creator), Görtz, V. (Creator), Goodby, J. W. (Creator) & Gleeson, H. (Creator), University of Leeds, 30 Jun 2016

  DOI: 10.5518/55

  Dataset

• In Situ Ternary Adduct Formation of Yttrium Polyaminocarboxylates Leads to Small Molecule Capture and Activation

  Duckett, S. B. (Creator) & Tickner, B. (Creator), University of York, 16 Aug 2022

  DOI: 10.15124/08fe7fb7-fc05-4c3a-865a-95c4be62782c

  Dataset

• MassIVE MSV000093431 - Lipid residues from ancient brain remains

  Thimbleby, E. (Creator), MassIVE, 2023

  DOI: 10.25345/c5sf2mp1s

  Dataset

• Data in support of the paper: Re-engineering a NiFe hydrogenase to increase the H2 production bias while maintaining native levels of O2 tolerance

  Parkin, A. (Creator), Flanagan, L. A. (Creator), Moir, J. (Creator), Wright, J. J. (Creator) & Roessler, M. M. (Creator), University of York, 2016

  DOI: 10.15124/16b0bc29-3bdc-4cff-b4be-70e256ed37e7

  Dataset

• Data from the paper: Guest-host systems containing anthraquinone dyes with multiple visible transitions giving positive and negative dichroic order parameters: an assessment of principal molecular axes and computational methods

  Sims, M. T. (Creator), Mandle, R. (Contributor), Goodby, J. W. (Supervisor) & Moore, J. N. (Supervisor), University of York, 2017

  DOI: 10.15124/06329a1e-86d1-4480-ae99-0dcd94591044

  Dataset

• Sequence Dependent RNA UNCG and DNA TNCG Tetraloop Hairpin Melting and Refolding Dynamics Using Temperature-Jump Infrared Spectroscopy

  Hunt, N. T. (Creator) & Howe, C. (Data Collector), University of York, 15 May 2023

  DOI: 10.15124/a02eb3ff-5245-463f-b434-8e16e6e5b653

  Dataset

• Sources of PM2.5-associated Health Risks in Europe and Corresponding Emission-induced Changes during 2005-2015

  Gu, Y. (Creator), Henze, D. K. (Creator), Nawaz, M. O. (Creator), Cao, H. (Creator) & Wagner, U. J. (Creator), Zenodo, 24 Feb 2023

  DOI: 10.5281/zenodo.7675783

  Dataset

• Degradation characteristics of bio-based teabags buried in soil, UK, November 2021-June 2022

  Courtene-Jones, W. (Contributor), Burgevin, F. (Creator), Munns, L. (Creator), Shillam, M. B. T. (Creator), De Falco, F. (Creator), Buchard, A. (Creator), Handy, R. D. (Creator), Thompson, R. C. (Creator), Hanley, M. E. (Creator) & Courtene-Jones, W. (Contributor), NERC EDS Environmental Information Data Centre, 29 Aug 2024

  DOI: 10.5285/24eddfa6-c97e-4a27-a84f-063ab3981058

  Dataset

• Supporting Data for O3 + I- temperature dependence

  Pound, R. (Contributor), Carpenter, L. J. (Supervisor) & Brown, L. (Creator), University of York, 28 Mar 2024

  DOI: 10.15124/38456dc5-1cf8-42be-bcb2-f7b348f645e8

  Dataset

• Element ratios of seawater and of aragonite precipitated in vitro from seawater at 25°C over variable pH and seawater saturation state and in the presence and absence of amino acids (aspartic acid, glutamic acid and glycine)

  Allison, N. (Creator), Castillo Alvarez, M. C. (Creator), Finch, A. (Creator), Hathorne, E. (Creator), Penkman, K. (Creator) & Kroger, R. (Creator), NERC EDS National Geoscience Data Centre, 5 Nov 2024

  DOI: 10.5285/9d78d62e-19c1-4ebf-bd1b-2daaa325afac

  Dataset

• The electro-photonic silicon biosensor: supporting dataset

  Juan Colás, J. (Creator), Parkin, A. (Supervisor), Dunn, K. (Contributor), Scullion, M. G. (Contributor), Krauss, T. F. (Supervisor) & Johnson, S. D. (Supervisor), University of York, 2016

  DOI: 10.15124/419c1760-fd74-4046-ba90-fb53710430f3

  Dataset

• Gram-Scale Synthesis of the (-)-Sparteine Surrogate and (-)-Sparteine Dataset

  O'Brien, P. A. (Creator) & Firth, J. (Creator), University of York, 1 Jan 2018

  DOI: 10.15124/4142eeaf-1544-482b-91dd-e68e0f3b4d3c

  Dataset

• QUANT: A Three-Year, Multi-City Air Quality Dataset of Commercial Air Sensors and Reference Data for Performance Evaluation

  Diez, S. (Creator), Lacy, S. (Creator), Pete, E. (Creator), Read, K. A. (Creator) & Josefina, U. (Creator), Zenodo, 2 Mar 2024

  DOI: 10.5281/zenodo.10775692

  Dataset

• Data set associated with Suppression of surface ozone by an aerosol-inhibited photochemical ozone regime

  Evans, M. J. (Creator), Centre for Environmental Data Analysis (CEDA), 26 May 2022

  DOI: 10.5285/406f88ee14f34177934b1dbd0be6aac7

  Dataset

• Data for 'Optimising Low Temperature Pyrolysis of Mesoporous Alginate-Derived Starbon® for Selective Heavy Metal Adsorption'

  Garland, N. (Creator), Gordon, R. (Creator), McElroy, R. (Creator), Parkin, A. (Creator) & MacQuarrie, D. J. (Creator), University of York, 9 May 2024

  DOI: 10.15124/a59d3217-4076-4949-94bb-543e17e74922

  Dataset

• Reaction Optimizer Spreadsheet tool

  Sherwood, J. (Creator), Zenodo, 31 Oct 2022

  DOI: 10.5281/zenodo.7267827

  Dataset

• Data supporting the publication "Work-hardening photopolymer from renewable photoactive 3,3’-(2,5-furandiyl)bisacrylic acid"

  Farmer, T. J. (Creator), University of York, 31 Jul 2014

  DOI: 10.15124/d29e1e1f-7fd2-4cf1-80e8-220bca3194de

  Dataset

• Fragmentation and Isomerization Pathways of Natural and Synthetic Cannabinoids Studied via Higher Collisional Energy Dissociation Profiles

  Dessent, C. E. H. (Creator), Selwe, K. (Owner), Uleanya, K. (Owner) & Shaikh, A. (Owner), University of York, 3 Dec 2024

  DOI: 10.15124/e6cbec75-0b8c-4ca5-a42a-a1a33937a510

  Dataset

• Assessing the purity of model glycoconjugate vaccines by low field NMR

  Duckett, S. B. (Creator), University of York, 30 Jan 2025

  Dataset