Datasets
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Exploring the conformers of an organic adsorbate on a metal cluster with Bayesian optimization
Fang, L. (Creator), Guo, X. (Contributor), Todorovic, M. (Contributor), Rinke, P. (Contributor) & Chen, X. (Contributor), Zenodo, 20 Aug 2022
DOI: 10.5281/zenodo.7012914, https://zenodo.org/record/7012914
Dataset
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Data and Scripts for "Real-Time Time-Dependent Density Functional Theory Implementation of Electronic Circular Dichroism Applied to Nanoscale Metal-Organic Clusters"
Makkonen, E. (Creator), Rossi, T. (Creator), Larsen, A. H. (Creator), Lopez Acevedo, O. (Creator), Rinke, P. (Creator) & Chen, X. (Creator), Zenodo, 1 Dec 2020
Dataset