Can large active-space CASSCF calculation make sense to the reaction analysis of iron complex? A benchmark study of methane oxidation reaction by FeO+.
Naoki NakataniMasahiko HadaPublished in: J. Comput. Chem. (2019)
Keyphrases
- evolutionary algorithm
- statistical analysis
- genetic algorithm
- comparative analysis
- artificial intelligence
- quantitative analysis
- preliminary analysis
- database
- empirical analysis
- experimental study
- low dimensional
- case study
- learning algorithm
- high dimensional
- face recognition
- high level
- complex data
- image processing
- literature review
- computer vision
- correlation analysis
- formal analysis