Kinetics and Thermodynamics of Reactions Involving Criegee Intermediates: An Assessment of Density Functional Theory and Ab Initio Methods Through Comparison with CCSDT(Q)/CBS Data.
Cameron D. SmithAmir KartonPublished in: J. Comput. Chem. (2020)
Keyphrases
- experimental data
- data mining techniques
- synthetic data
- significant improvement
- high dimensional data
- statistical analysis
- data distribution
- noisy data
- machine learning methods
- statistical methods
- image data
- data mining methods
- data reduction
- data collection
- missing values
- data sets
- raw data
- benchmark datasets
- density estimation
- preprocessing
- database
- data mining
- machine learning
- predictive model
- probability density
- statistical significance
- complex structures
- multiple sources
- databases
- computer systems
- original data
- bayesian networks
- data structure
- prior knowledge
- computational cost
- data sources
- missing data