Automated reaction path searches for spin-forbidden reactions.

Toshiyuki Takayanagi Taiki Nakatomi

Published in: J. Comput. Chem. (2018)

Keyphrases

chemical reactions
semi automated
chemical reaction
computer assisted
fully automated
search strategies
real time
semi automatic
search engine
shortest path
data driven
medical images
context sensitive
feature selection
automated analysis
automated classification
artificial intelligence
databases