Enhancing computer-assisted structure elucidation with DFT analysis of J-couplings

von Buevich, Alexei V
Veröffentlicht in: Magnetic resonance in chemistry : MRC (2020)

Towards unbiased and more versatile NMR-based structure elucidation A powerful combination of CASE algorithms and DFT calculations

von Buevich, Alexei V
Veröffentlicht in: Magnetic resonance in chemistry : MRC (2018)

Enhanced automated structure elucidation by inclusion of two-bond specific data

von Cheatham, Steve F
Veröffentlicht in: Magnetic resonance in chemistry : MRC (2010)

The application of empirical methods of (13)C NMR chemical shift prediction as a filter for determining possible relative stereochemistry

von Elyashberg, Mikhail E
Veröffentlicht in: Magnetic resonance in chemistry : MRC (2009)