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Fundamental and Applied Chemical Kinetics
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Biblio Author:
Yanfei Guan
2021
Charles McGill
Michael Forsuelo
Yanfei Guan
William H. Green
2021
Predicting Infrared Spectra with Message Passing Neural Networks
Journal of Chemical Information and Modeling
61
2594–2609
2021
Yanfei Guan
Connor W. Coley
Haoyang Wu
Duminda Ranasinghe
Esther Heid
Thomas J. Struble
Lagnajit Pattanaik
William H. Green
Klavs F. Jensen
2021
Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors
Chemical Science
12
2198-2208
