Optimization of parameters for semiempirical methods I. Method
Abstract A new method for obtaining optimized parameters for semiempirical methods has been developed and applied to the modified neglect of diatomic overlap (MNDO) method. The ...
Publications
4 shownDevelopment and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTDevelopment and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular modelMichael ...
Optimization of parameters for semiempirical methods II. Applications
Abstract MNDO/AM1‐type parameters for twelve elements have been optimized using a newly developed method for optimizing parameters for semiempirical methods. With the new method...
Frequent Co-Authors
Researcher Info
- h-index
- 4
- Publications
- 4
- Citations
- 27,179
- Institution
- United States Air Force Academy
External Links
Identifiers
- ORCID
- 0000-0001-6280-8695
Impact Metrics
h-index
4
h-index: Number of publications with at least h citations each.