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Thermochemical kinetics

Representative benchmark suites for barrier heights of diverse reaction types and assessment of electronic structure methods for thermochemical kinetics

Author(s): Zheng JJ (Zheng, Jingjing), Zhao Y (Zhao, Yan), Truhlar DG (Truhlar, Donald G.)
Publication year: 2007
Journal / Book title: JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Excerpt from the article:

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rm1 NDDO semiempirical methods

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