Datasets
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Search results
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ifilot/microkinetic-datasets-methanation-fts: Fix error in description
Zijlstra, B. (Creator), Klumpers, B. (Creator), Hensen, E. J. M. (Creator) & Filot, I. A. W. (Creator), Zenodo, 12 Aug 2023
DOI: 10.5281/zenodo.8241527, https://zenodo.org/records/8241527
Dataset
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Reaction-coordinate driven Kohn-Sham orbital characterisation for CO adsorption trajectories source code
van Limpt, J. (Creator) & Filot, I. (Creator), Zenodo, 8 Jul 2023
DOI: 10.5281/zenodo.8127113, https://zenodo.org/record/8127113
Dataset
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CCDC 1562237: Experimental Crystal Structure Determination
van Zee, N. J. (Creator), Adelizzi, B. (Creator), Mabesoone, M. F. J. (Creator), Meng, X. (Creator), Aloi, A. (Creator), Zha, R. H. (Creator), Lutz, M. (Creator), Filot, I. A. W. (Creator), Palmans, A. R. A. (Creator) & Meijer, E. W. (Creator), Cambridge Crystallographic Data Centre, 14 Jul 2017
DOI: 10.5517/ccdc.csd.cc1pfmrh
Dataset
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EDP: a program for projecting electron densities from VASP onto planes
Filot, I. (Creator), Zenodo, 1 Jul 2023
DOI: 10.5281/zenodo.8104498, https://zenodo.org/record/8104498
Dataset
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Density of states and Crystal Orbital Hamilton Population Analysis of CO adsorbed on Co
Krosschell, R. (Creator), Hensen, E. (Creator) & Filot, I. (Creator), Zenodo, 19 Dec 2023
DOI: 10.5281/zenodo.10405016, https://zenodo.org10405016 and one more link, https://zenodo.org/records/10885762 (show fewer)
Dataset
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Bramble: adaptive common neighbor analysis (CNA) for the recognition of surface topologies in nanoparticles
Filot, I. (Creator), van Etten, M. P. C. (Creator), Trommelen, D. (Creator) & Hensen, E. (Creator), Zenodo, 10 Jul 2023
DOI: 10.5281/zenodo.8129268, https://zenodo.org/record/8129268 and one more link, https://zenodo.org/record/8341189 (show fewer)
Dataset