Calculation of chemical reaction energies using the AM05 density functional.

Richard P. Muller Ann E. Mattsson Curtis L. Janssen

Published in: J. Comput. Chem. (2010)

Keyphrases

chemical reaction
graph cuts
higher order
calculation method
molecular level
three dimensional
markov random field
energy function
functional analysis
density distribution
real world
search engine
bayesian networks
learning environment
multi agent systems
chemical reactions