A method to calculate the weights of nbo electronic structures from Moffitt's theorem.
Padeleimon KarafiloglouPublished in: J. Comput. Chem. (2001)
Keyphrases
- experimental evaluation
- computational cost
- high precision
- preprocessing
- synthetic data
- significant improvement
- classification accuracy
- high accuracy
- evaluation method
- mathematical model
- detection method
- objective function
- genetic algorithm
- mutual information
- markov random field
- error rate
- multiscale
- probabilistic model
- main contribution
- dynamic programming
- k means
- classification method
- fully automatic
- optimization method
- similarity measure