Department of Chemistry

Search results

• Danish structural biology BAG

  Jensen, M. (Creator), Morth, J. P. (Creator), Ryberg, L. A. (Creator), Tandrup, T. (Creator) & Melnikov, I. (Contributor), European Synchrotron Radiation Facility, 2027

  DOI: 10.15151/esrf-es-1897128164, https://doi.esrf.fr/10.15151/ESRF-ES-1897128164

  Dataset

• Disentangling thermal motion from disorder in proteins: a low temperature study of perdeuterated HEWL

  Joao, R. (Creator), Kay, D. (Creator), Trevor, F. V. (Creator), Michael, H. (Creator), Eva, L. A. (Creator), Larsen, S. (Creator), Helene, L. M. (Creator) & Helen, Y. (Creator), Institut Laue-Langevin (ILL), 2020

  DOI: 10.5291/ill-data.8-01-543, https://doi.ill.fr/10.5291/ILL-DATA.8-01-543

  Dataset

• Crystal-field spectroscopy of tetragonal lanthanide single-ion magnets

  Sørensen, M. A. (Creator), Jesper, B. (Creator), Bengaard, H. U. (Creator), Kim, L. (Creator) & Hannu, M. (Creator), Institut Laue-Langevin (ILL), 2015

  DOI: 10.5291/ill-data.4-04-468, https://doi.ill.fr/10.5291/ILL-DATA.4-04-468

  Dataset

• X-ray diffraction data of perdeuterated hen egg-white lysozyme at room temperature

  Ramos, J. (Creator), Laux, V. (Creator), Mason, S. A. (Creator), Lemee, M. (Creator), Bowler, M. (Creator), Diederichs, K. (Creator), Haertlein, M. (Creator), Forsyth, V. T. (Creator), Mossou, E. (Creator), Larsen, S. (Creator) & Langkilde, A. E. (Creator), Zenodo, 3 Jan 2024

  DOI: 10.5281/zenodo.10453790, https://zenodo.org/records/10453790

  Dataset

• Neutron diffraction data of hydrogenated hen egg-white lysozyme at room temperature

  Ramos, J. (Creator), Laux, V. (Creator), Mason, S. A. (Creator), Lemee, M. (Creator), Bowler, M. (Creator), Diederichs, K. (Creator), Haertlein, M. (Creator), Forsyth, V. T. (Creator), Mossou, E. (Creator), Larsen, S. (Creator) & Langkilde, A. E. (Creator), Zenodo, 3 Jan 2024

  DOI: 10.5281/zenodo.10453845, https://zenodo.org/records/10453845

  Dataset

• Neutron diffraction data of perdeuterated hen egg-white lysozyme at room temperature

  Ramos, J. (Creator), Laux, V. (Creator), Mason, S. A. (Creator), Lemee, M. (Creator), Bowler, M. (Creator), Diederichs, K. (Creator), Haerltein, M. (Creator), Forsyth, V. T. (Creator), Mossou, E. (Creator), Larsen, S. (Creator) & Langkilde, A. E. (Creator), Zenodo, 3 Jan 2024

  DOI: 10.5281/zenodo.10453868, https://zenodo.org/records/10453868

  Dataset

• Laboratory comparison of low-cost particulate matter sensors to measure transient events of pollution - Dataset

  Bulot, F. M. J. (Creator), Russel, H. S. (Creator), Rezaei, M. (Creator), Johnson, M. S. (Creator), Ossont, S. J. (Creator), Morris, A. K. R. (Creator), Basford, P. J. (Creator), Easton, N. H. C. (Creator), Foster, G. L. (Creator), Loxham, M. (Creator) & Cox, S. J. (Creator), Zenodo, 2020

  DOI: 10.5281/zenodo.5833271, https://zenodo.org/record/5833271

  Dataset

• Vibronic Coupling in a Molecular 4f Qubit

  Marbey, J. (Creator), Kragskow, J. G. C. (Creator), Buch, C. D. (Creator), Nehrkorn, J. (Creator), Ozerov, M. (Creator), Piligkos, S. (Creator), Hill, S. (Creator) & Chilton, N. F. (Creator), Zenodo, 2021

  DOI: 10.5281/zenodo.4571572, https://zenodo.org/record/4571572

  Dataset

• Magnetic excitations in S = 2 quasi-one-dimensional Heisenberg antiferromagnets

  Sørensen, M. A. (Creator), Jesper, B. (Creator), Bengaard, H. U. (Creator), Kim, L. (Creator) & Hannu, M. (Creator), Institut Laue-Langevin (ILL), 2014

  DOI: 10.5291/ill-data.4-01-1395, https://doi.ill.fr/10.5291/ILL-DATA.4-01-1395

  Dataset

• Unravelling protein dynamics and the effect of deuteration through neutron sub-atomic single-crystal diffraction data of perdeuterated and p

  Joao, R. (Creator), Trevor, F. V. (Creator), Michael, H. (Creator), Eva, L. A. (Creator), Larsen, S. (Creator), Helene, L. M. (Creator), Estelle, M. (Creator) & Helen, Y. (Creator), Institut Laue-Langevin (ILL), 2020

  DOI: 10.5291/ill-data.8-01-556, https://doi.ill.fr/10.5291/ILL-DATA.8-01-556

  Dataset

• Quantifying antiferromagnetic exchange interactions mediated by metallophilic contacts

  Sørensen, M. A. (Creator), Jesper, B. (Creator), Andreas, B. N. (Creator), Ole, C. J. (Creator), Jacques, O. (Creator), Mauro, P. (Creator) & Hoegni, W. (Creator), Institut Laue-Langevin (ILL), 2018

  DOI: 10.5291/ill-data.4-06-7, https://doi.ill.fr/10.5291/ILL-DATA.4-06-7

  Dataset

• DATASETS of On the Chemical Stability of DNA-Stabilized Silver Nanoclusters

  Romolini, G. (Creator), Cerretani, C. (Creator), Mollerup, C. B. (Creator) & Vosch, T. (Creator), Zenodo, 13 Nov 2024

  DOI: 10.5281/zenodo.14139952, https://zenodo.org/records/14139952

  Dataset

• X-ray diffraction data of hydrogenated hen egg-white lysozyme at room temperature

  Ramos, J. (Creator), Laux, V. (Creator), Mason, S. A. (Creator), Lemee, M. (Creator), Bowler, M. (Creator), Diederichs, K. (Creator), Haertlein, M. (Creator), Forsyth, V. T. (Creator), Mossou, E. (Creator), Larsen, S. (Creator) & Langkilde, A. E. (Creator), Zenodo, 3 Jan 2024

  DOI: 10.5281/zenodo.10453721, https://zenodo.org/records/10453721

  Dataset

• RPCA methods for pattern extraction, hotspot identification and signal correction on NO2 time-series from the London Air Quality Network database

  Bogaert, M. (Creator), Mouritzen, C. (Creator), Johnson, M. S. (Creator) & van Reeuwijk, M. (Creator), Zenodo, 26 Feb 2024

  DOI: 10.5281/zenodo.10708798, https://zenodo.org/records/10708798

  Dataset

• Dataset for the article "Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems"

  Olsen, J. M. H. (Creator), Reine, S. (Creator), Vahtras, O. (Creator), Kjellgren, E. (Creator), Reinholdt, P. (Creator), Hjorth Dundas, K. O. (Creator), Li, X. (Creator), Cukras, J. (Creator), Ringholm, M. (Creator), Hedegård, E. D. (Creator), Di Remigio, R. (Creator), List, N. H. (Creator), Faber, R. (Creator), Cabral Tenorio, B. N. (Creator), Bast, R. (Creator), Pedersen, T. B. (Creator), Rinkevicius, Z. (Creator), Sauer, S. P. A. (Creator), Mikkelsen, K. V. (Creator), Kongsted, J. (Creator), Coriani, S. (Creator), Ruud, K. (Creator), Helgaker, T. (Creator), Jensen, H. J. A. (Creator) & Norman, P. (Creator), Zenodo, 2020

  DOI: 10.5281/zenodo.3710462, https://zenodo.org/record/3710462

  Dataset

• Supplementary Data for 'Multireference and Coupled Cluster Study of Dimethyltetroxide (MeO4Me) Formation and Decomposition'

  Salo, V.-T. (Creator), Chen, J. (Creator), Runeberg, N. (Creator), Kjaergaard, H. G. (Creator) & Kurtén, T. (Creator), Zenodo, 28 Feb 2024

  DOI: 10.5281/zenodo.10277012, https://zenodo.org/records/10277012

  Dataset

• Minuscule ligand-field perturbations in lanthanide single-ion magnets

  Kasper, P. (Creator), Jesper, B. (Creator), Morten, G. V. (Creator), Andreas, K. (Creator), Hannu, M. (Creator), Stephane, R. (Creator), Marc, S. (Creator), Sørensen, M. A. (Creator) & Hoegni, W. (Creator), Institut Laue-Langevin (ILL), 2014

  DOI: 10.5291/ill-data.4-01-1390, https://doi.ill.fr/10.5291/ILL-DATA.4-01-1390

  Dataset

• Molecular magnets under pressure: Exchange interactions via hydrogen bonds

  Kasper, P. (Creator), Jesper, B. (Creator), Jamie, M. (Creator), Hannu, M. (Creator), Anders, R. (Creator), Marc, S. (Creator) & Sørensen, M. A. (Creator), Institut Laue-Langevin (ILL), 2013

  DOI: 10.5291/ill-data.4-04-464, https://doi.ill.fr/10.5291/ILL-DATA.4-04-464

  Dataset

• Anisotropic displacement parameters of non-hydrogen atoms in proteins from neutron diffraction data measured at multiple temperatures.

  Larsen, S. (Creator), Trevor, F. (Creator), Eva, L. A. (Creator), Sax A., M. (Creator) & Estelle, M. (Creator), Institut Laue-Langevin (ILL), 2016

  DOI: 10.5291/ill-data.8-01-475, https://doi.ill.fr/10.5291/ILL-DATA.8-01-475

  Dataset

• Crystal-field spectroscopy of symmetry-lowered mononuclear dysprosium and erbium single-molecule magnets

  Sørensen, M. A. (Creator), Jesper, B. (Creator), Emil, H. (Creator), Bengaard, H. U. (Creator), Kim, L. (Creator) & Hannu, M. (Creator), Institut Laue-Langevin (ILL), 2016

  DOI: 10.5291/ill-data.4-06-1, https://doi.ill.fr/10.5291/ILL-DATA.4-06-1

  Dataset

• Data for: Bimolecular Sandwich Aggregates of Porphyrin Nanorings

  Gotfredsen, H. (Creator), Hergenhahn, J. (Creator), Duarte, F. (Creator), Claridge, T. (Creator) & Anderson, H. (Creator), Zenodo, 8 Jul 2024

  DOI: 10.5281/zenodo.12688100, https://zenodo.org/records/12688100

  Dataset

• Laboratory Comparison of Low-Cost Particulate Matter Sensors to Measure Transient Events of Pollution - Part B - Particle Number Concentrations - Dataset

  Bulot, F. M. J. (Creator), Russel, H. S. (Creator), Rezaei, M. (Creator), Johnson, M. S. (Creator), Ossont, S. J. (Creator), Morris, A. K. R. (Creator), Basford, P. J. (Creator), Easton, N. H. C. (Creator), Mitchell, H. L. (Creator), Foster, G. L. (Creator), Loxham, M. (Creator) & Cox, S. J. (Creator), Zenodo, 2023

  DOI: 10.5281/zenodo.7808620, https://zenodo.org/records/7808620

  Dataset