Linked Life Data

17625959

Source:http://linkedlifedata.com/resource/pubmed/id/17625959

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
3
pubmed:dateCreated
2008-2-26
pubmed:abstractText
The solid phase FTIR and Raman spectra of 6-methyl 1,2,3,4-tetrahydroquinoline (MTHQ) have been recorded in the regions 4000-100 and 3500-100 cm(-1), respectively. The spectra were interpreted with the aid of normal coordinate analysis following a full structure optimization and force field calculations based on the density functional theory (DFT) using the standard B3LYP/6-311+G(**) basis set combination. A close agreement was achieved between the observed and calculated frequencies by refinement of the scale factors.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Mar
pubmed:issn
1386-1425
pubmed:author
pubmed:issnType
Print
pubmed:volume
69
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
853-9
pubmed:meshHeading
pubmed:year
2008
pubmed:articleTitle
Density functional theory calculations and vibrational spectra of 6-methyl 1,2,3,4-tetrahyroquinoline.
pubmed:affiliation
Department of Physics, Periyar University, Salem 636011, India. vkrishna_kumar@yahoo.com
pubmed:publicationType
Journal Article