"Automated input structure generation for single-ended reaction path ..."

Julian Geiger et al. (2022)

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DOI: 10.1002/JCC.26969

access: closed

type: Journal Article

metadata version: 2023-08-28

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Julian Geiger, Volker Settels, Peter Deglmann, Ansgar Schäfer, Maike Bergeler:
Automated input structure generation for single-ended reaction path optimizations. J. Comput. Chem. 43(24): 1662-1674 (2022)

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