Datasets
- 1 - 25 out of 35 results
Search results
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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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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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Data for High pressure and the control of covalency in actinide complexes M(OAr)4 (M = Th, U, Np)
Arnold, P. (Contributor), Berryman, V. (Creator), Kaltsoyannis, N. (Contributor), Ochiai, T. (Contributor) & Price, A. (Contributor), Mendeley Data, 17 Aug 2022
DOI: 10.17632/2mhj4xy8d4.1, https://data.mendeley.com/datasets/2mhj4xy8d4
Dataset
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DFT + U simulation of the X-ray absorption near-edge structure of bulk UO2 and PuO2
Chen, J. (Creator), Mendeley Data, 3 May 2023
DOI: 10.17632/v2x87s8sy9.1, https://data.mendeley.com/datasets/v2x87s8sy9
Dataset
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Data for: Approximate models for the lattice thermal conductivity of alloy thermoelectrics
Skelton, J. (Creator), Mendeley Data, 20 Aug 2021
DOI: 10.17632/hrzkm56zw7.1, https://data.mendeley.com/datasets/hrzkm56zw7
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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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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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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Synthesis and Electronic Structures of Heavy Lanthanide Metallocenium Cations
Goodwin, C. (Creator), Reta, D. (Contributor), Ortu, F. (Contributor), Chilton, N. (Contributor) & Mills, D. (Contributor), Mendeley Data, 8 Jan 2018
DOI: 10.17632/9btz3nh68b.3, https://data.mendeley.com/datasets/9btz3nh68b
Dataset
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Research data for Super-Reduced Bi23− Radical paper
Chilton, N. (Creator), University of Manchester Figshare, 26 Jan 2023
DOI: 10.48420/21960062, https://figshare.manchester.ac.uk/articles/dataset/Research_data_for_Super-Reduced_Bi23_Radical_paper/21960062 and one more link, https://figshare.manchester.ac.uk/articles/dataset/Research_data_for_Super-Reduced_Bi23_Radical_paper/21960062/1 (show fewer)
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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IPAP-FESTA: Rapid measurement of heteronuclear coupling constants in complex spectra
Castanar Acedo, L. (Creator), Morris, G. (Creator) & Nilsson, M. (Creator), University of Manchester Figshare, 23 May 2023
DOI: 10.48420/21975908.v1, https://figshare.manchester.ac.uk/articles/dataset/IPAP-FESTA_Rapid_measurement_of_heteronuclear_coupling_constants_in_complex_spectra/21975908/1
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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Data for: Lattice dynamics of Pnma Sn[S(1-x)Se(x)] solid solutions: energetics, phonon spectra and thermal transport
Skelton, J. (Creator), Mendeley Data, 13 Jul 2020
DOI: 10.17632/m34bnmpkpx.1, https://data.mendeley.com/datasets/m34bnmpkpx
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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Research data for "Characterisation of magnetic relaxation on extremely long timescales"
Chilton, N. (Creator), University of Manchester Figshare, 30 May 2023
DOI: 10.48420/22203130.v2, https://figshare.manchester.ac.uk/articles/dataset/Research_data_for_Characterisation_of_magnetic_relaxation_on_extremely_long_timescales_/22203130/2
Dataset
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Computational Study of Substitutions of Early Actinides and Ce into Zirconolite
Kaltsoyannis, N. (Contributor) & Tanti, J. (Creator), 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. (Creator), Mendeley Data, 18 Sep 2020
DOI: 10.17632/63gyhm6y9n.1, https://data.mendeley.com/datasets/63gyhm6y9n
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
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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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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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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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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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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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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