Solids modeled by ab initio crystal field methods, part 22: The Fock matrix transformed supermolecule model and the structure determination of D-erythronic acid-3, 4-carbonate.
Joris van DroogenbroeckBen SwertsLothar SchäferChristian van AlsenoyPublished in: J. Comput. Chem. (2004)
Keyphrases
- neural network
- hybrid method
- experimental data
- statistical model
- mathematical model
- probability distribution
- significant improvement
- management system
- parameter estimation
- probabilistic model
- statistical models
- em algorithm
- bayesian networks
- machine learning methods
- statistical methods
- linear regression
- qualitative and quantitative
- monte carlo simulation
- data sets
- mathematical theory
- matrix representation