Chemical shift driven geometry optimization.
Raiker WitterWolfram PrieUlrich SternbergPublished in: J. Comput. Chem. (2002)
Keyphrases
- data driven
- global optimization
- optimization problems
- optimization algorithm
- constrained optimization
- optimization process
- real time
- combinatorial optimization
- website
- optimal design
- optimization methods
- optimization strategies
- joint optimization
- optimization method
- evolutionary algorithm
- expert systems
- objective function
- three dimensional