Systematic study of vibrational frequencies calculated with the self-consistent charge density functional tight-binding method.
Henryk A. WitekKeiji MorokumaPublished in: J. Comput. Chem. (2004)
Keyphrases
- experimental study
- experimental evaluation
- detection method
- study proposes
- high accuracy
- pairwise
- support vector machine
- mutual information
- significant improvement
- cost function
- optimization method
- objective function
- segmentation algorithm
- theoretical analysis
- genetic algorithm
- regression analysis
- simulation study
- fully automatic
- feature selection
- image sequences
- clustering method
- lower bound
- multiscale
- denoising
- machine learning
- computational complexity
- preprocessing