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ZENODO
Dataset
Data sources: ZENODO
Zenodo
Claim

Dataset for Manuscript "Enantioselectivity in Chiral Rotaxanes Arises from the Interplay of Conformation, Interaction Energy, and Ensemble Structure"

Research datakeyboard_double_arrow_right Dataset Under curationPublisher:Zenodo
Authors: Cachoeira Colaço, Matheus; Finoto Caramori, Giovanni;

doi: 10.5281/zenodo.20561482

Dataset for Manuscript "Enantioselectivity in Chiral Rotaxanes Arises from the Interplay of Conformation, Interaction Energy, and Ensemble Structure"

Abstract

This repository constains coordinates, scripts and raw data, as well as selected input/output and trajectory files produced for the Manuscript "Enantioselectivity in Chiral Rotaxanes Arises from the Interplay of Conformation, Interaction Energy, and Ensemble Structure"

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