Publication - Journal Article General Protocol for the Accurate Prediction of Molecular ¹³C/¹H NMR Chemical Shifts via Machine Learning Augmented DFT

Journal Article

Journal of Chemical Information and Modeling, vol. 60, iss. 8, pp. 3746-3754, 2020

Authors

Peng Gao, Jun Zhang, Qian Peng, Jie Zhang, Vassiliki-Alexandra Glezakou

Language English

Publication - Journal Article General Protocol for the Accurate Prediction of Molecular 13C/1H NMR Chemical Shifts via Machine Learning Augmented DFT