Kinetic isotope effects calculated with the instanton method.
Jan MeisnerJudith B. RommelJohannes KästnerPublished in: J. Comput. Chem. (2011)
Keyphrases
- high accuracy
- prior knowledge
- preprocessing
- cost function
- main contribution
- experimental evaluation
- significant improvement
- edge detection
- mathematical model
- computational complexity
- experimental study
- statistical model
- classification accuracy
- fully automatic
- mutual information
- evaluation method
- high precision
- detection method
- optimization algorithm
- genetic algorithm
- computationally efficient
- input data
- probabilistic model
- computational cost
- k means
- multiresolution
- evolutionary algorithm
- pairwise
- similarity measure
- image processing