Systematic microsolvation approach with a cluster-continuum scheme and conformational sampling
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Author
Date
2020-05-05Type
- Journal Article
Publication status
publishedExternal links
Journal / series
Journal of Computational ChemistryVolume
Pages / Article No.
Publisher
WileySubject
automated procedures; microsolvation; quantum chemistryOrganisational unit
03736 - Reiher, Markus / Reiher, Markus
Funding
182400 - Exhaustive First-Principles Exploration of Chemical Reaction Networks for Catalysis Design (SNF)
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