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Computational chemistry methods based on MNDO and tools for improving their accuracy

James J P Stewart1

  • 1Stewart Computational Chemistry, 15210 Paddington Circle, Colorado Springs, CO, 80921, USA. mrmopac@att.net.

Journal of Molecular Modeling
|March 13, 2026
PubMed
Abstract

Keywords:
ApplicabilityCauses of errorDevelopment of PM6-ORGMNDOModeling proteinsSemiempirical method development

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