Reaction energetics on long-range corrected density functional theory: Diels-Alder reactions.

Raman K. Singh Takao Tsuneda

Published in: J. Comput. Chem. (2013)

Keyphrases

long range
short range
conditional random fields
long range correlations
chemical reactions
neural network
fractional brownian motion
machine learning
information retrieval
learning algorithm
probabilistic model
rigid and non rigid
long range interactions