Theoretical investigations of NMR chemical shifts and reactivities of oxovanadium(v) compounds.

Michael Bühl Fred A. Hamprecht

Published in: J. Comput. Chem. (1998)

Keyphrases

chemical compounds
drug discovery
nmr spectra
nuclear magnetic resonance
experimental data
theoretical analysis
theoretical basis
graph kernels
databases
artificial intelligence
high quality
structural features
theoretical issues
chemical reaction
chemical reactions