Linked Life Data

15646968

Source:http://linkedlifedata.com/resource/pubmed/id/15646968

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
2
pubmed:dateCreated
2005-1-13
pubmed:abstractText
[Reaction: see text] Despite the wide application of time-resolved spectra technology in investigating various chemical and biological processes, it is still a great challenge to give an unambiguous spectra assignment for observed transient species, e.g., the curcumin-derived radicals. Here we report that time-dependent density functional theory with the B3LYP functional and an appropriate basis set can give reliable absorption spectra for carbon- and oxygen-centered radicals derived from curcumin, which indicates the potential of theoretical methods in helping assign transient spectra.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jan
pubmed:issn
1523-7060
pubmed:author
pubmed:issnType
Print
pubmed:day
20
pubmed:volume
7
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
243-6
pubmed:dateRevised
2006-11-15
pubmed:meshHeading
pubmed:year
2005
pubmed:articleTitle
Successful application of TD-DFT in transient absorption spectra assignment.
pubmed:affiliation
Laboratory for Computational Biology and Shandong Provincial Research Center for Bioinformatic Engineering and Technique, Shandong University of Technology, Zibo 255049, PR China.
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't