Category:
Organic Chemistry
,
Working Paper
, Title:
Real-time Prediction of 1H and 13C Chemical Shifts with DFT accuracy using a 3D Graph Neural Network
, Authors:
Yanfei Guan, Shree Sowndarya SV, Liliana Gallegos, Peter St. John, Robert Paton
Version 1 posted 18 June 2021
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