Accurate bond dissociation enthalpies by using doubly hybrid XYG3 functional.

Igor Ying Zhang Jianming Wu Yi Luo Xin Xu

Published in: J. Comput. Chem. (2011)

Keyphrases

computationally efficient
artificial intelligence
high accuracy
database
information retrieval
three dimensional
similarity measure
relational databases
evolutionary algorithm
high precision
highly accurate
hybrid learning