Solvation effects on reaction profiles by the polarizable continuum model coupled with the Gaussian density functional method.
Tzonka MinevaNino RussoEmilia SiciliaPublished in: J. Comput. Chem. (1998)
Keyphrases
- statistical model
- gaussian density
- probabilistic model
- mixture of gaussians
- objective function
- statistical methods
- closed form
- maximum likelihood estimation
- detection algorithm
- gaussian mixture
- similarity measure
- em algorithm
- parameter estimation
- segmentation method
- probability distribution
- classification algorithm
- prior information
- pairwise
- energy function
- cross validation