Datasets
- 1 - 25 out of 56 results
Search results
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Dataset for 'BiVO4 photoanodes enhanced with metal phosphide co-catalysts: relevant properties to boost photoanode performance'
Cui, J. (Creator), Skelton, J. (Creator) & Eslava, S. (Creator), Zenodo, 30 Sept 2023
Dataset
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Thermoeletric Properties of the Bismuth Oxychalcogenides Bi2SO2, Bi2SeO2 and Bi2TeO2
Flitcroft, J. (Creator) & Skelton, J. M. (Contributor), Mendeley Data, 20 Aug 2024
Dataset
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Research data for "Ab Initio Design of Molecular Qubits with Electric Field Control"
Chilton, N. F. (Creator), Morrillo, W. (Creator), Cumming, H. (Creator), Mattioni, A. (Creator) & Staab, J. K. (Creator), University of Manchester Figshare, 14 Aug 2024
DOI: 10.48420/26617561, https://figshare.manchester.ac.uk/articles/dataset/Research_data_for_Ab_Initio_Design_of_Molecular_Qubits_with_Electric_Field_Control_/26617561
Dataset
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Data for: Incorporating Non-Covalent Interactions in Transfer Learning Gaussian Process Regression Models for Molecular Simulations
Brown, M. (Creator), Isamura, B. (Contributor), Skelton, J. (Contributor) & Popelier, P. (Contributor), Mendeley Data, 27 Jun 2024
DOI: 10.17632/rmmznpxmss.1, https://data.mendeley.com/datasets/rmmznpxmss
Dataset
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Data for: Thermoelectric properties of Pnma and R3m GeS and GeSe
Zhang, M. (Creator), Skelton, J. M. (Contributor), Flitcroft, J. (Contributor) & Guillemot, S. (Contributor), Mendeley Data, 15 Aug 2024
DOI: 10.17632/5ryvryys4w.1, https://data.mendeley.com/datasets/5ryvryys4w
Dataset
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Research data for Bridging Dysprosocenium paper
Chilton, N. (Creator), University of Manchester Figshare, 8 Mar 2024
DOI: 10.48420/25356166, https://figshare.manchester.ac.uk/articles/dataset/Research_data_for_Bridging_Dysprosocenium_paper/25356166
Dataset
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Data for: Application of the FFLUX Force Field to Molecular Crystals: A Study of Formamide
Brown, M. (Creator), Skelton, J. (Contributor) & Popelier, P. (Contributor), Mendeley Data, 19 Oct 2023
DOI: 10.17632/whw57k6d33.1, https://data.mendeley.com/datasets/whw57k6d33
Dataset
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Research data for "Accurate and efficient spin-phonon coupling and spin dynamics calculations for molecular solids"
Chilton, N. (Creator), University of Manchester Figshare, 23 Feb 2023
DOI: 10.48420/22148963, https://figshare.manchester.ac.uk/articles/dataset/Research_data_for_Impact_of_Finite_Phonon_Lifetimes_on_the_Spin_Dynamics_of_Single-Molecule_Magnets_/22148963
Dataset
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Broadband Measurement of True Transverse Relaxation Rates
Morris, G. (Creator), Kiraly, P. (Contributor), Nilsson, M. (Contributor), Dal Poggetto, G. (Contributor), Castanar Acedo, L. (Contributor) & Deák, A. (Contributor), Mendeley Data, 27 Jul 2017
DOI: 10.17632/p275tgwdv2.1, https://data.mendeley.com/datasets/p275tgwdv2
Dataset
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Light‑FESTA: enhancing characteristic 1H signal patterns of fluorinated molecules
Castanar Acedo, L. (Creator), Morris, G. (Creator), Nilsson, M. (Creator), Golovanov, A. P. (Creator), Smith, M. (Creator) & Bramham, J. E. (Creator), University of Manchester Figshare, 5 Jul 2023
DOI: 10.48420/23056013, https://figshare.manchester.ac.uk/articles/dataset/Light_FESTA_enhancing_characteristic_1H_signal_patterns_of_fluorinated_molecules/23056013 and one more link, https://figshare.manchester.ac.uk/articles/dataset/Light_FESTA_enhancing_characteristic_1H_signal_patterns_of_fluorinated_molecules/23056013/1 (show fewer)
Dataset
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README file for the ESR part of the data repository of manuscript "Light-Induced Triplet-Triplet Electron Resonance Spectroscopy with Orthogonal Chromophores allows Pulsed ESR Distanse Measurements between FRET Labels"
Bertran, A. (Creator), Timmel, C. R. (Creator), Morbiaton, L. (Creator), Dalla Torre, C. (Creator), Di Valentin, M. (Creator), De Zotti, M. (Creator), Sawyer, J. (Creator), Heyes, D. (Creator), Hay, S. (Creator) & Bowen, A. (Creator), University of Manchester Figshare, 11 Apr 2023
DOI: 10.48420/22177202, https://figshare.manchester.ac.uk/articles/dataset/README_file_for_ESR_data_for_manuscript_Light-Induced_Triplet-Triplet_Electron_Resonance_Spectroscopy_with_Orthogonal_Chromophores_allows_Pulsed_ESR_Distance_Measurements_between_FRET_Labels_/22177202
Dataset
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Relaxational signal attenuation during selective pulses
Li, R. (Creator), Castanar acedo, L. (Creator), Nilsson, M. (Creator) & Morris, G. (Creator), University of Manchester Figshare, 16 Nov 2022
DOI: 10.48420/20349324.v1, https://figshare.manchester.ac.uk/articles/online_resource/Relaxational_signal_attenuation_during_selective_pulses/20349324/1
Dataset
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First-principles modelling of the thermoelectric properties of n-type CaTiO3, SrTiO3 and BaTiO3
Khan, A. (Creator), Flitcroft, J. (Contributor) & Skelton, J. M. (Contributor), Mendeley Data, 28 Aug 2024
DOI: 10.17632/mzwcgry9dd.1, https://data.mendeley.com/datasets/mzwcgry9dd
Dataset
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Improving the Sensitivity of FESTA Methods for the Analysis of Fluorinated Mixtures
Castanar Acedo, L. (Creator), Mendonça Barbosa, T. (Contributor), Morris, G. (Contributor), Moutzouri, P. (Contributor), Nilsson, M. (Contributor), Rittner, R. (Contributor) & Tormena, C. (Contributor), Mendeley Data, 14 Oct 2019
DOI: 10.17632/jvy9s7y2yw.3, https://data.mendeley.com/datasets/jvy9s7y2yw
Dataset
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Data for: Thermodynamics, electronic structure and vibrational properties of Sn(n)[S(1-x)Se(x)](m) solid solutions for energy applications
Skelton, J. (Contributor), Gunn, D. (Creator), Burton, L. (Creator), Metz, S. (Creator) & Parker, S. (Contributor), Mendeley Data, 13 Jul 2020
DOI: 10.17632/bwhjg65xvd.3, https://data.mendeley.com/datasets/bwhjg65xvd
Dataset
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Research data for "Structural evolution of paramagnetic lanthanide compounds in solution compared to time- and ensemble-average structures from paramagnetic NMR"
Chilton, N. (Creator), University of Manchester Figshare, 7 Feb 2023
DOI: 10.48420/22015322, https://figshare.manchester.ac.uk/articles/dataset/Research_data_for_Structural_evolution_of_paramagnetic_lanthanide_compounds_in_solution_compared_to_time-_and_ensemble-average_structures_from_paramagnetic_NMR_/22015322
Dataset
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Data for: Phase stability of the tin monochalcogenides SnS and SnSe: a quasi-harmonic lattice-dynamics study
Skelton, J. (Creator) & Pallikara, I. (Contributor), Mendeley Data, 20 Jun 2023
DOI: 10.17632/fsghbfmj4w.1, https://data.mendeley.com/datasets/fsghbfmj4w
Dataset
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Research data for "Determination of molecular hydration in solution via changes in magnetic anisotropy"
Chilton, N. (Creator), University of Manchester Figshare, 4 Jan 2023
DOI: 10.48420/21740702, https://figshare.manchester.ac.uk/articles/dataset/Research_data_for_Determination_of_molecular_hydration_in_solution_via_changes_in_magnetic_anisotropy_/21740702
Dataset
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Ultra selective 1D clean in phase correlation spectroscopy - Publication Data
Adams, R. W. (Creator), Taylor, D. A. (Creator), Morris, G. A. (Creator), Nilsson, M. (Creator) & Castañar, L. (Creator), University of Manchester Figshare, 25 Apr 2023
DOI: 10.48420/21909600, https://figshare.manchester.ac.uk/articles/dataset/Ultra_selective_1D_clean_in_phase_correlation_spectroscopy_-_Publication_Data/21909600
Dataset
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Synthesis and Electronic Structures of Heavy Lanthanide Metallocenium Cations
Goodwin, C. A. P. (Creator), Reta, D. (Contributor), Ortu, F. (Contributor), Chilton, N. F. (Contributor) & Mills, D. P. (Contributor), Mendeley Data, 8 Jan 2018
DOI: 10.17632/9btz3nh68b.3, https://data.mendeley.com/datasets/9btz3nh68b
Dataset
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Influence of pressure on a dysprosocenium single molecule magnet
Parmar, V. S. (Creator), Chilton, N. (Contributor), Mills, D. (Contributor) & Skelton, J. (Contributor), Mendeley Data, 13 Feb 2023
DOI: 10.17632/sfmn8566th.1, https://data.mendeley.com/datasets/sfmn8566th
Dataset
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Filtered datasets of benzene, ethanol, formic acid dimer and fomepizole
Isamura, B. (Creator) & Popelier, P. (Contributor), Mendeley Data, 25 Apr 2024
DOI: 10.17632/ypxnzbjk45.1, https://data.mendeley.com/datasets/ypxnzbjk45
Dataset
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Research Data for "An ab initio study of magnetic relaxation in a dysprosocenium single-molecule magnet"
Chilton, N. F. (Creator), Staab, J. K. (Creator), Atkinson, B. E. (Creator), Nabi, R. (Creator) & Skelton, J. M. (Creator), University of Manchester Figshare, 31 Jul 2024
DOI: 10.48420/26378074, https://figshare.manchester.ac.uk/articles/dataset/Research_Data_for_An_ab_initio_study_of_magnetic_relaxation_in_a_dysprosocenium_single-molecule_magnet_/26378074
Dataset
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Research data for "Measurement of the quantum tunnelling gap in a dysprosocenium single-molecule magnet"
Chilton, N. (Creator), University of Manchester Figshare, 5 Jan 2023
DOI: 10.48420/21740855.v1, https://figshare.manchester.ac.uk/articles/dataset/Research_data_for_Measurement_of_the_quantum_tunnelling_gap_in_a_dysprosocenium_single-molecule_magnet_/21740855/1
Dataset
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Input Files and Optimized Structures for Computational Study of Plutonium-Americium Mixed Oxides (Pu0.92Am0.08O2-x); Water Adsorption on {111}, {110} and {100} Surfaces
chen, J. (Creator), Mendeley Data, 29 Jan 2020
DOI: 10.17632/7t7cryny9k.2, https://data.mendeley.com/datasets/7t7cryny9k
Dataset