<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE article PUBLIC "-//NLM//DTD JATS (Z39.96) Journal Publishing DTD v1.2d1 20170631//EN" "JATS-journalpublishing1.dtd">
<article xlink="http://www.w3.org/1999/xlink" dtd-version="1.0" article-type="general-sciences" lang="en"><front><journal-meta><journal-id journal-id-type="publisher">IJCRR</journal-id><journal-id journal-id-type="nlm-ta">I Journ Cur Res Re</journal-id><journal-title-group><journal-title>International Journal of Current Research and Review</journal-title><abbrev-journal-title abbrev-type="pubmed">I Journ Cur Res Re</abbrev-journal-title></journal-title-group><issn pub-type="ppub">2231-2196</issn><issn pub-type="opub">0975-5241</issn><publisher><publisher-name>Radiance Research Academy</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="publisher-id">1409</article-id><article-id pub-id-type="doi"/><article-id pub-id-type="doi-url"/><article-categories><subj-group subj-group-type="heading"><subject>General Sciences</subject></subj-group></article-categories><title-group><article-title>SCALED QUANTUM CHEMICAL STUDIES OF THE STRUCTURE AND VIBRATIONAL SPECTRA OF 1, 5- DIMETHYLNAPHTHALENE&#13;
</article-title></title-group><contrib-group><contrib contrib-type="author"><name><surname/><given-names/></name></contrib><contrib contrib-type="author"><name><surname>Geetha</surname><given-names>N.</given-names></name></contrib></contrib-group><pub-date pub-type="ppub"><day>28</day><month>02</month><year>2013</year></pub-date><volume/><issue/><fpage>10</fpage><lpage>22</lpage><permissions><copyright-statement>This article is copyright of Popeye Publishing, 2009</copyright-statement><copyright-year>2009</copyright-year><license license-type="open-access" href="http://creativecommons.org/licenses/by/4.0/"><license-p>This is an open-access article distributed under the terms of the Creative Commons Attribution (CC BY 4.0) Licence. You may share and adapt the material, but must give appropriate credit to the source, provide a link to the licence, and indicate if changes were made.</license-p></license></permissions><abstract><p>The scaled phase FTIR and FT-Raman spectra of 1,5-dimethylnaphthalene(DMN) has been recorded in the region 4000-400 cm-1 and 4000-50 cm-1, respectively. The fundamental vibrational wavenumbers and intensities of vibrational bands are evaluated with the aid of normal coordinate analysis based on density functional theory (DFT) using the standard B3LYP/6-31G** method and basis set combination with scaled quantum mechanical force field. The Infrared and Raman spectra are also predicted from the calculated intensities. Comparison of simulated spectra with the experimental spectra provides important information about the ability of the computational method to describe the vibrational modes.&#13;
</p></abstract><kwd-group><kwd>Vibrational spectra</kwd><kwd> 1</kwd><kwd>5-dimethylnaphthalene</kwd><kwd> DFT calculations</kwd><kwd> Vibrational analysis</kwd></kwd-group></article-meta></front></article>
