"Conformational energies of reference organic molecules: benchmarking of ..."

Ioannis Stylianakis et al. (2023)

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DOI: 10.1007/S10822-023-00513-5

access: open

type: Journal Article

metadata version: 2024-06-08

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Ioannis Stylianakis, Nikolaos Zervos, Jenn-Huei Lii, Dimitrios A. Pantazis, Antonios Kolocouris:
Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory. J. Comput. Aided Mol. Des. 37(12): 607-656 (2023)

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