"Automated and efficient quantum chemical determination and energetic ..."

Philipp Pracht, Christoph Alexander Bauer, Stefan Grimme (2017)

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DOI: 10.1002/JCC.24922

access: closed

type: Journal Article

metadata version: 2021-10-14

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Philipp Pracht, Christoph Alexander Bauer, Stefan Grimme:
Automated and efficient quantum chemical determination and energetic ranking of molecular protonation sites. J. Comput. Chem. 38(30): 2618-2631 (2017)

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