Iterative Arylation of Amino Acids and Aliphatic Amines via δ‐C(sp3)−H Activation: Experimental and Computational Exploration

Iterative Arylation of Amino Acids and Aliphatic Amines via δ‐C(sp3)−H Activation: Experimental and Computational Exploration

This dataset contains the geometries of all optimized structures (in .xyz format with their associated energy in Hartrees) accompanying the paper "Iterative Arylation of Amino Acids and Aliphatic Amines via δ‐C(sp3)−H Activation: Experimental and Computational Exploration" published in Ang...

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Bibliographische Detailangaben
Hauptverfasser: Guin, Srimanta, Dolui, Pravas, Zhang, Xinglong, Paul, Satyadip, Singh, Vikas Kumar, Pradhan, Sukumar, Chandrashekar, Hediyala B., Anjana, S. S., Paton, Robert S., Maiti, Debabrata
Format: Dataset
Sprache:eng
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Beschreibung
Zusammenfassung:This dataset contains the geometries of all optimized structures (in .xyz format with their associated energy in Hartrees) accompanying the paper "Iterative Arylation of Amino Acids and Aliphatic Amines via δ‐C(sp3)−H Activation: Experimental and Computational Exploration" published in Angew. Chem. Int. Ed.. doi:10.1002/anie.201900479 on 28 Feb 2019.
DOI:10.5281/zenodo.2611813