Geometry Optimization Within a Modified Extended Hückel Formalism: Modifications to the ASED Program.
Kenneth J. TupperRichard W. CountsJoseph J. GajewskiPublished in: Comput. Chem. (1991)
Keyphrases
- global optimization
- optimization algorithm
- optimal design
- case study
- discrete optimization
- programming language
- optimization problems
- constrained optimization
- optimization method
- horn clause logic
- program execution
- geometric information
- programming environment
- static analysis
- geometric constraints
- real time
- theoretical framework
- multi view
- knowledge representation
- information retrieval
- data sets