· Zenodo (CERN European Organization for Nuclear Research)
QuantumPioneer Dataset
Haoyang Wu, Jonathan Wenyuan Zheng, Hao‐Wei Pang, Yu-Chi Kao, Akshat Shirish Zalte, Charlles R. A. Abreu, Emad Al Ibrahim, Sayandeep Biswas, Chansup Byun, Jackson W. Burns, Chuangchuang Cao, Yunsie Chung, Xiaorui Dong, Anna C. Doner, Jeremy Kepner, Bonhyeok Koo, Shih‐Cheng Li, Angiras Menon, Lauren Milechin, Nathan Morgan, Kariana Andrea Moreno-Sader, Kevin Spiekermann, Florence H. Vermeire, Bryan Wang, Markus Kraft, Connor W. Coley, William H. Green
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Abstract
Datasets associated with the work "QuantumPioneer: Scalable generation of quantum chemical data for solution-phase hydrogen transfer reactions" Publication: https://doi.org/10.1021/jacs.6c10371 GitHub: https://github.com/QuantumPioneer Refer to the SCHEMA.md file for details of the different datasets released here.