ArticleChemistry (Weinheim an der Bergstrasse, Germany)2017
Clathrate Structure Determination by Combining Crystal Structure Prediction with Computational and Experimental
Article in Chemistry (Weinheim an der Bergstrasse, Germany), 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
What it found
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Who cites it
11 citing papers in PubMed.
- Spiers Memorial Lecture: NMR crystallography.Faraday discussions · 2025Article
- The seventh blind test of crystal structure prediction: structure generation methods.Acta crystallographica Section B, Structural science, crystal engineering and materials · 2024Article
- Gas Uptake and Thermodynamics in Porous Liquids Elucidated byThe journal of physical chemistry letters · 2024Article
- Article
- Hyper-CEST NMR of metal organic polyhedral cages reveals hidden diastereomers with diverse guest exchange kinetics.Nature communications · 2022Article
- NMR as a "Gold Standard" Method in Drug Design and Discovery.Molecules (Basel, Switzerland) · 2020Review
- Rapid Structure Determination of Molecular Solids Using Chemical Shifts Directed by Unambiguous Prior Constraints.Journal of the American Chemical Society · 2019Article
- Chemical shifts in molecular solids by machine learning.Nature communications · 2018Article
- New Insights into Solid Form Stability and Hydrate Formation: o-Phenanthroline HCl and Neocuproine HCl.Molecules (Basel, Switzerland) · 2017Article
- Inside information on xenon adsorption in porous organic cages by NMR.Chemical science · 2017Article
- Clathrate Structure Determination by Combining Crystal Structure Prediction with Computational and ExperimentalChemistry (Weinheim an der Bergstrasse, Germany) · 2017Article
Corrections and comments
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Authors and funding
10 authors.
Funding
Abstract
An approach is presented for the structure determination of clathrates using NMR spectroscopy of enclathrated xenon to select from a set of predicted crystal structures. Crystal structure prediction methods have been used to generate an ensemble of putative structures of o- and m-fluorophenol, whose previously unknown clathrate structures have been studied by
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Registered trials
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