Systematic microsolvation approach with a cluster-continuum scheme and conformational sampling
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Author / Producer
Date
2020-05-05
Publication Type
Journal Article
ETH Bibliography
yes
Citations
Altmetric
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Data
Rights / License
Permanent link
Publication status
published
External links
Editor
Book title
Journal / series
Volume
41 (12)
Pages / Article No.
1144 - 1155
Publisher
Wiley
Event
Edition / version
Methods
Software
Geographic location
Date collected
Date created
Subject
automated procedures; microsolvation; quantum chemistry
Organisational unit
03736 - Reiher, Markus / Reiher, Markus
Notes
Funding
182400 - Exhaustive First-Principles Exploration of Chemical Reaction Networks for Catalysis Design (SNF)