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Efficient optimization of natural resonance theory weightings and bond orders by gram-based convex programming.
Glendening, Eric D; Wright, Stephen J; Weinhold, Frank.
Affiliation
  • Glendening ED; Department of Chemistry and Physics, Indiana State University, Terre Haute, Indiana, 47809.
  • Wright SJ; Department of Computer Science, University of Wisconsin-Madison, Madison, Wisconsin, 53705.
  • Weinhold F; Theoretical Chemistry Institute and Department of Chemistry, University of Wisconsin-Madison, Madison, Wisconsin, 53705.
J Comput Chem ; 40(23): 2028-2035, 2019 09 05.
Article in En | MEDLINE | ID: mdl-31077408
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Guideline Language: En Journal: J Comput Chem Journal subject: QUIMICA Year: 2019 Document type: Article Country of publication: United States
Fulltext
Add to My VHL
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Guideline Language: En Journal: J Comput Chem Journal subject: QUIMICA Year: 2019 Document type: Article Country of publication: United States