Ab initio and density functional theory study of structures and energies for dimethoxymethane as a model for the anomeric effect.
John R. KneislerNorman L. AllingerPublished in: J. Comput. Chem. (1996)
Keyphrases
- theoretical framework
- computational model
- probabilistic model
- simulation study
- energy function
- study proposes
- high level
- objective function
- management system
- neural network
- parameter estimation
- empirical data
- conceptual framework
- statistical physics
- agent based models
- formal model
- simulation model
- theoretical foundation
- statistical model
- mathematical model
- statistical analysis