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"Automated handling of complex chemical structures in Z-matrix ..."
Oskar Weser, Björn Hein-Janke, Ricardo A. Mata (2023)
- Oskar Weser, Björn Hein-Janke, Ricardo A. Mata:
Automated handling of complex chemical structures in Z-matrix coordinates - The chemcoord library. J. Comput. Chem. 44(5): 710-726 (2023)
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