Linked Life Data

15556440

Source:http://linkedlifedata.com/resource/pubmed/id/15556440

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
1-2
pubmed:dateCreated
2004-11-23
pubmed:abstractText
The solid phase FTIR and FT-Raman spectra of 4-chloro-5-fluoro-1,2-phenylenediamine (C(6)H(6)ClFN(2)) have been recorded in the region 4000-400 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/6-31G( *) method and 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
Jan
pubmed:issn
1386-1425
pubmed:author
pubmed:issnType
Print
pubmed:day
1
pubmed:volume
61
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
199-204
pubmed:meshHeading
pubmed:year
2005
pubmed:articleTitle
Density functional study and the vibrational spectra of 4-chloro-5-fluoro-1,2-phenylenediamine.
pubmed:affiliation
Department of Physics, Nehru Memorial College, Puthanampatti 621007, Tiruchirapalli, India. vkrishna_kumar@yahoo.com
pubmed:publicationType
Journal Article