HIGHLIGHTS
- who: Yang Cong et al. from the Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Jiefang Road, Changchun, China have published the Article: The Accuracy of Semi-Empirical Quantum Chemistry Methods on Soot Formation Simulation, in the Journal: (JOURNAL)
- what: The authors compared six semi-empirical methods-AM1, PM6, PM7, GFN2-xTB, DFTB2, and DFTB3. The authors performed a systematic benchmark analysis for assessing the performances of several widely used SE methods (AM1, PM6, PM7, DFTB2, DFTB2-SP, and DFTB3) in describing the properties of soot precursor molecules and their reactions.
- how . . .
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