Datasets
- 25 results
Search results
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Computational Study of Substitutions of Early Actinides and Ce into Zirconolite
Tanti, J. (Contributor) & Kaltsoyannis, N. (Contributor), Mendeley Data, 20 May 2020
DOI: 10.17632/kdn28v6rn8.1, https://data.mendeley.com/datasets/kdn28v6rn8
Dataset
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Magnetic Exchange Interactions in Symmetric Lanthanide Dimetallics
Chilton, N. (Contributor), Mendeley Data, 18 Sep 2020
DOI: 10.17632/63gyhm6y9n.1, https://data.mendeley.com/datasets/63gyhm6y9n
Dataset
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DFT + U study of uranium dioxide and plutonium dioxide with occupation matrix control
Chen, J. (Creator), Mendeley Data, 2022
DOI: 10.17632/zrcv3yw9sn.1, https://data.mendeley.com/datasets/zrcv3yw9sn
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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Research data for "An analytic linear vibronic coupling method for first-principles spin-dynamics calculations in single-molecule magnets"
Chilton, N. (Creator), University of Manchester figshare, 13 Sep 2022
DOI: 10.48420/21076921.v1, https://figshare.manchester.ac.uk/articles/dataset/Research_data_for_An_analytic_linear_vibronic_coupling_method_for_first-principles_spin-dynamics_calculations_in_single-molecule_magnets_/21076921/1
Dataset
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Improving the Sensitivity of FESTA Methods for the Analysis of Fluorinated Mixtures
Castanar Acedo, L. (Contributor), Morris, G. (Contributor), Mendonça Barbosa, T. (Contributor), Tormena, C. (Contributor), Moutzouri, P. (Contributor), Nilsson, M. (Contributor) & Rittner, R. (Creator), Mendeley Data, 14 Oct 2019
DOI: 10.17632/jvy9s7y2yw.3, https://data.mendeley.com/datasets/jvy9s7y2yw
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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Simultaneous broadband suppression of homonuclear and heteronuclear couplings in 1H NMR spectroscopy
Castanar Acedo, L. (Creator), Morris, G. (Creator), Nilsson, M. (Creator) & Mycroft, C. (Creator), University of Manchester figshare, 17 Aug 2022
DOI: 10.48420/19583323.v4, https://figshare.manchester.ac.uk/articles/dataset/Simultaneous_broadband_suppression_of_homonuclear_and_heteronuclear_couplings_in_1H_NMR_spectroscopy/19583323/4
Dataset
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Data for High pressure and the control of covalency in actinide complexes M(OAr)4 (M = Th, U, Np)
Berryman, V. (Creator), Price, A. (Contributor), Ochiai, T. (Contributor), Arnold, P. (Contributor) & Kaltsoyannis, N. (Contributor), Mendeley Data, 17 Aug 2022
DOI: 10.17632/2mhj4xy8d4.1, https://data.mendeley.com/datasets/2mhj4xy8d4
Dataset
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Data for: Impact of noble-gas filler atoms on the lattice thermal conductivity of CoSb3 skutterudites - first-principles modelling
Skelton, J. (Contributor) & Tang, J. (Contributor), Mendeley Data, 20 Aug 2021
DOI: 10.17632/8sm35p2zch.3, https://data.mendeley.com/datasets/8sm35p2zch
Dataset
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Data for: Lattice dynamics of Pnma Sn[S(1-x)Se(x)] solid solutions: energetics, phonon spectra and thermal transport
Skelton, J. (Contributor), Mendeley Data, 13 Jul 2020
DOI: 10.17632/m34bnmpkpx.1, https://data.mendeley.com/datasets/m34bnmpkpx
Dataset
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Data for: Approximate models for the lattice thermal conductivity of alloy thermoelectrics
Skelton, J. (Contributor), Mendeley Data, 20 Aug 2021
DOI: 10.17632/hrzkm56zw7.1, https://data.mendeley.com/datasets/hrzkm56zw7
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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Simultaneous broadband suppression of homonuclear and heteronuclear couplings in 1H NMR spectroscopy
Castanar Acedo, L. (Creator), Morris, G. (Creator), Nilsson, M. (Creator) & Mycroft, C. (Creator), University of Manchester figshare, 17 May 2022
DOI: 10.48420/19583323.v1, https://figshare.manchester.ac.uk/articles/dataset/Simultaneous_broadband_suppression_of_homonuclear_and_heteronuclear_couplings_in_1H_NMR_spectroscopy/19583323/1
Dataset
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Pure Shift 2D NMR Spectroscopy
Castanar Acedo, L. (Creator) & Adams, R. (Creator), University of Manchester figshare, 9 Aug 2022
DOI: 10.48420/19729807.v1, https://figshare.manchester.ac.uk/articles/dataset/Pure_Shift_2D_NMR_Spectroscopy/19729807/1
Dataset
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Data for: Impact of noble-gas filler atoms on the lattice thermal conductivity of CoSb3 skutterudites - first-principles modelling
Tang, J. (Contributor) & Skelton, J. (Creator), Mendeley Data, 22 Feb 2021
DOI: 10.17632/8sm35p2zch, https://data.mendeley.com/datasets/8sm35p2zch
Dataset
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Data for Quantum Chemical Topology and Natural Bond Orbital Analysis of M-O Covalency in M(OC6H5)4 (M = Ti, Zr, Hf, Ce, Th, Pa, U, Np)
Berryman, V. (Contributor) & Kaltsoyannis, N. (Contributor), Mendeley Data, 20 May 2020
DOI: 10.17632/hhjb594rhj.1, https://data.mendeley.com/datasets/hhjb594rhj
Dataset
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CASSCF output files
Chilton, N. (Creator), University of Manchester figshare, 23 Nov 2021
DOI: 10.48420/16573874.v1, https://figshare.manchester.ac.uk/articles/dataset/CASSCF_output_files/16573874/1
Dataset
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Magnetic data
Chilton, N. (Creator), University of Manchester figshare, 23 Nov 2021
DOI: 10.48420/16573880.v1, https://figshare.manchester.ac.uk/articles/dataset/Magnetic_data/16573880/1
Dataset
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Analysis of vibronic coupling in a 4f molecular magnet with FIRMS
Kragskow, J. (Creator), Marbey, J. (Creator), Buch, C. D. (Creator), Nehrkorn, J. (Creator), Ozerov, M. (Creator), Piligkos, S. (Creator), Hill, S. (Creator) & Chilton, N. (Creator), University of Manchester figshare, 7 Feb 2022
DOI: 10.48420/16698526.v1, https://figshare.manchester.ac.uk/articles/dataset/Analysis_of_vibronic_coupling_in_a_4f_molecular_magnet_with_FIRMS/16698526/1
Dataset
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Research data for Vibronic Effects on the Quantum Tunnelling of Magnetisation in Single-Molecule Magnets
Chilton, N. (Creator), University of Manchester figshare, 18 Jan 2023
DOI: 10.48420/21892887.v1, https://figshare.manchester.ac.uk/articles/dataset/Research_data_for_Vibronic_Effects_on_the_Quantum_Tunnelling_of_Magnetisation_in_Single-Molecule_Magnets/21892887/1
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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Data for: Accuracy of hybrid functionals with non-self-consistent Kohn-Sham orbitals for predicting the properties of semiconductors
Gunn, D. S. D. (Contributor), Skelton, J. (Creator), Parker, S. (Contributor) & Metz, S. (Contributor), Mendeley Data, 23 Feb 2021
DOI: 10.17632/fjmkmskzvh.1, https://data.mendeley.com/datasets/fjmkmskzvh
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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Manchester pure shift NMR workshop: Varian software
Nilsson, M. (Contributor), Kiraly, P. (Contributor), Morris, G. (Creator), Castanar Acedo, L. (Contributor), Adams, R. (Contributor) & Foroozandeh, M. (Contributor), Mendeley Data, 11 Sep 2017
DOI: 10.17632/rgj4jwcsnz.1, https://data.mendeley.com/datasets/rgj4jwcsnz
Dataset