Ca NMR parameters: A comparison of periodic and cluster approaches and an evaluation of DFT functionals.
Sean T. HolmesShi BaiRobbie J. IuliucciKarl T. MuellerCecil DybowskiPublished in: J. Comput. Chem. (2017)
Keyphrases
- higher order
- maximum likelihood
- cellular automata
- clustering algorithm
- evaluation methods
- high resolution
- neural network
- frequency domain
- multiresolution
- decision trees
- special case
- image processing
- search engine
- machine learning
- sensitivity analysis
- hierarchical clustering
- evaluation method
- evaluation metrics
- data sets
- evaluation framework
- comprehensive evaluation