Articles
Synergistic Combination of CASE Algorithms and DFT Chemical Shift Predictions: A Powerful Approach for Structure Elucidation, Verification, and Revision
Here, we demonstrate that the combination of CASE and DFT methods for NMR chemical shift prediction allows the determination of the correct structure even in difficult situations.
Articles
Enhancing Efficiency of Natural Product Structure Revision: Leveraging CASE and DFT over Total Synthesis
In this paper, we propose using CASE and DFT methods as tools for preventive verification of an originally proposed structure, and elucidation of the correct structure if the original structure is deemed to be incorrect.