LAUSR

About LAUSR
Donate
Contact Us

Follow us:

You are not signed in:

Sign Up!


   Articles with "structural database" as a keyword



Photo by akashbanerjeeab from unsplash

Development of a Cambridge Structural Database Subset: A Collection of Metal-Organic Frameworks for Past, Present, and Future

Sign Up to like & get
recommendations! Published in 2017 at "Chemistry of Materials"

DOI: 10.1021/acs.chemmater.7b00441

Abstract: We report the generation and characterization of the most complete collection of metal–organic frameworks (MOFs) maintained and updated, for the first time, by the Cambridge Crystallographic Data Centre (CCDC). To set up this subset, we… read more here.

Keywords: collection metal; structural database; metal organic; cambridge ... See more keywords

Insights into coordination and ligand trends of lanthanide complexes from the Cambridge Structural Database

Sign Up to like & get
recommendations! Published in 2024 at "Scientific Reports"

DOI: 10.1038/s41598-024-62074-3

Abstract: Understanding lanthanide coordination chemistry can help develop new ligands for more efficient separation of lanthanides for critical materials needs. The Cambridge Structural Database (CSD) contains tens of thousands of single crystal structures of lanthanide complexes… read more here.

Keywords: chemistry; structural database; lanthanide complexes; cambridge structural ... See more keywords

Exploitation of pseudo-symmetry in the Cambridge Structural Database for molecular ferroelectric discovery

Sign Up to like & get
recommendations! Published in 2025 at "CrystEngComm"

DOI: 10.1039/d5ce00445d

Abstract: The search for new useful molecular ferroelectrics is a non-trivial problem. We present the application of an automated symmetry-searching method (FERROSCOPE) to the Cambridge Structural Database (CSD) in order to... read more here.

Keywords: exploitation pseudo; symmetry; cambridge structural; structural database ... See more keywords

Binary polymorphic cocrystals: an update on the available literature in the Cambridge Structural Database, including a new polymorph of the pharmaceutical 1:1 cocrystal theophylline-3,4-dihydroxybenzoic acid.

Sign Up to like & get
recommendations! Published in 2018 at "Acta crystallographica. Section C, Structural chemistry"

DOI: 10.1107/s2053229618006861

Abstract: An analysis and classification of the 2925 neutral binary organic cocrystals in the Cambridge Structural Database is reported, focusing specifically on those both showing polymorphism and containing an active pharmaceutical ingredient (API). The search was… read more here.

Keywords: structural database; new polymorph; polymorph pharmaceutical; cambridge structural ... See more keywords