Influence of the solvent representation on vibrational entropy calculations: Generalized born versus distance-dependent dielectric model.
Hannes KopitzDaniel A. CashmanStefania Pfeiffer-MarekHolger GohlkePublished in: J. Comput. Chem. (2012)
Keyphrases
- computational model
- formal model
- statistical model
- high level
- prior knowledge
- objective function
- probabilistic model
- management system
- euclidean distance
- influence factors
- formal representation
- spatial structure
- graphical representation
- graph representation
- hierarchical structure
- experimental data
- data sets
- genetic algorithm
- neural network