Assessment of DFT Methods for Transition Metals with the TMC151 Compilation of Data Sets and Comparison with Accuracies for Main-Group Chemistry

Citation

Chan, B, Gill, P & Kimura, M 2019, 'Assessment of DFT Methods for Transition Metals with the TMC151 Compilation of Data Sets and Comparison with Accuracies for Main-Group Chemistry', Journal of Chemical Theory and Computation (JCTC), vol. 15, no. 6, pp. 3610-3622.

Year

2019

ANU Authors

Field of Research

  • Quantum Chemistry

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