Linked Life Data

18424177

Source:http://linkedlifedata.com/resource/pubmed/id/18424177

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
2
pubmed:dateCreated
2008-10-28
pubmed:abstractText
The vibrational spectra of 2-amino-5-chloro benzonitrile (ACB) have been obtained by density functional theory (DFT) calculations. Normal coordinate analysis has been carried out to support the vibrational analysis. The results were compared with the experimental values. With the help of scaling procedures, the observed FTIR and FT Raman vibrational frequencies were analysed and compared with the theoretically predicted vibrational spectra. The assignments of bands to various normal modes of the molecules were also carried out.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Nov
pubmed:issn
1386-1425
pubmed:author
pubmed:issnType
Print
pubmed:day
15
pubmed:volume
71
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
465-70
pubmed:meshHeading
pubmed:year
2008
pubmed:articleTitle
Density functional theory study of Fourier transform infrared and Raman spectra of 2-amino-5-chloro benzonitrile.
pubmed:affiliation
Department of Physics, Periyar University, Salem 636001, India. v.krishna_kumar@yahoo.com
pubmed:publicationType
Journal Article