Algorithm to evaluate rate constants for polyatomic chemical reactions. I. Theory and computational details.
Javier GonzálezXavier GiménezJosep Maria BofillPublished in: J. Comput. Chem. (2007)
Keyphrases
- detection algorithm
- probabilistic model
- times faster
- preprocessing
- experimental evaluation
- ant colony optimization
- computational cost
- np hard
- cost function
- learning algorithm
- dynamic programming
- computational complexity
- high accuracy
- matching algorithm
- single pass
- convergence rate
- recognition algorithm
- estimation algorithm
- optimization algorithm
- theoretical analysis
- computationally efficient
- input data
- objective function
- segmentation algorithm
- clustering method
- theoretical framework
- tree structure
- classification algorithm
- path planning
- simulated annealing
- improved algorithm
- similarity measure
- genetic algorithm