Linked Life Data

17507760

Source:http://linkedlifedata.com/resource/pubmed/id/17507760

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
Pt 3
pubmed:dateCreated
2007-5-17
pubmed:abstractText
Cluster analysis can be an effective tool for analysing large quantities of data. Here it has been applied to the conformational analysis of enones and enimines in the crystalline solid state, using structural information mined from the Cambridge Structural Database. The forms that are common in the gaseous state and in solution are already known from spectroscopic studies. These forms are also found to be the most common conformations observed in the solid state; however, the clustering method highlights those structures that do not conform to the expected geometries. The study is supported by ab initio gas phase calculations on simple enone and enimine fragments.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Jun
pubmed:issn
0108-7681
pubmed:author
pubmed:issnType
Print
pubmed:volume
63
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
469-76
pubmed:dateRevised
2007-7-24
pubmed:year
2007
pubmed:articleTitle
The application of cluster analysis to identify conformational preferences in enones and enimines from crystal structural data.
pubmed:affiliation
WestCHEM, Department of Chemistry, University of Glasgow, Glasgow G12 8QQ, Scotland. annac@chem.gla.ac.uk
pubmed:publicationType
Journal Article