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Spatial Separation of Molecular Conformers and Clusters
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Exploring Conformer Search Workflows Using OpenBabel, Hierarchical Clustering, and Quantum Chemical Optimizations: A

Anna Elmanova1,2,3, Martin Presselt1,3

  • 1Leibniz Institute of Photonic Technology (IPHT), Albert-Einstein-Str. 9, 07745 Jena, Germany.

Journal of Chemical Information and Modeling
|April 30, 2026
PubMed
Abstract

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