Prediction of approximate transition states by Bell-Evans-Polanyi principle: II. Gas phase unimolecular decomposition of methyldioxirane.
Josep Maria AngladaEmili BesalúJosep Maria BofillRamon CrehuetPublished in: J. Comput. Chem. (1999)
Keyphrases
- initial state
- state space
- prediction accuracy
- genetic algorithm
- prediction algorithm
- state transition
- prediction model
- decomposition method
- prediction error
- efficient computation
- information systems
- quasi periodic
- data mining
- probabilistic model
- multiresolution
- objective function
- similarity measure
- state transitions
- decomposition algorithm