Full rate constant matrix contraction method for obtaining branching ratio of unimolecular decomposition.
Yosuke SumiyaTetsuya TaketsuguSatoshi MaedaPublished in: J. Comput. Chem. (2017)
Keyphrases
- decomposition method
- experimental evaluation
- high accuracy
- cost function
- data sets
- probabilistic model
- computational cost
- detection method
- dynamic programming
- synthetic data
- clustering method
- classification accuracy
- significant improvement
- pairwise
- preprocessing
- objective function
- learning algorithm
- genetic algorithm
- neural network