{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,23]],"date-time":"2026-02-23T10:41:33Z","timestamp":1771843293566,"version":"3.50.1"},"reference-count":57,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2015,2,1]],"date-time":"2015-02-01T00:00:00Z","timestamp":1422748800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy"],"published-print":{"date-parts":[[2015,2]]},"DOI":"10.1016\/j.saa.2014.09.104","type":"journal-article","created":{"date-parts":[[2014,10,4]],"date-time":"2014-10-04T01:35:05Z","timestamp":1412386505000},"page":"852-863","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":9,"special_numbering":"PB","title":["Spectroscopic and quantum chemical analysis of Isonicotinic acid methyl ester"],"prefix":"10.1016","volume":"136","author":[{"given":"D.","family":"Shoba","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"S.","family":"Periandy","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"M.","family":"Govindarajan","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"P.","family":"Gayathri","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"78","reference":[{"key":"10.1016\/j.saa.2014.09.104_b0005","doi-asserted-by":"crossref","first-page":"77","DOI":"10.1023\/A:1023210422362","volume":"33","author":"Chapela","year":"2003","journal-title":"J. Chem. Crystallogr."},{"key":"10.1016\/j.saa.2014.09.104_b0010","volume":"vol. 9","author":"Percino","year":"1996"},{"key":"10.1016\/j.saa.2014.09.104_b0015","unstructured":"M. Ropars, B. Bloch, French Patent 2 (1974) 261, 296; U.S. Patent 3 S62, 1976."},{"key":"10.1016\/j.saa.2014.09.104_b0020","unstructured":"B.P. Malassine, J.C.C. Gautier, S.H. Chevalier, G.R. Berteleau, U.S. Patent 4163, 1979."},{"key":"10.1016\/j.saa.2014.09.104_b0025","unstructured":"J. Ratto, C.T. Hamermesh, U.S. Patent 4362, 1982."},{"key":"10.1016\/j.saa.2014.09.104_b0030","doi-asserted-by":"crossref","first-page":"1789","DOI":"10.1016\/0584-8539(92)80253-S","volume":"48","author":"Chattopadhyay","year":"1992","journal-title":"Spectrochim. Acta A"},{"key":"10.1016\/j.saa.2014.09.104_b0035","doi-asserted-by":"crossref","first-page":"81","DOI":"10.1016\/0584-8539(77)80151-7","volume":"33","author":"Green","year":"1977","journal-title":"Spectrochim. Acta"},{"key":"10.1016\/j.saa.2014.09.104_b0040","doi-asserted-by":"crossref","first-page":"1481","DOI":"10.1016\/S1386-1425(98)00054-7","volume":"54A","author":"Klots","year":"1998","journal-title":"Spectrochim. Acta"},{"key":"10.1016\/j.saa.2014.09.104_b0045","doi-asserted-by":"crossref","first-page":"70","DOI":"10.1016\/S0254-0584(99)00240-0","volume":"64","author":"Rajpure","year":"2000","journal-title":"J. Mater. Chem. Phys."},{"key":"10.1016\/j.saa.2014.09.104_b0050","doi-asserted-by":"crossref","first-page":"205","DOI":"10.1016\/j.saa.2005.06.040","volume":"64","author":"Jose","year":"2006","journal-title":"Spectrochim. Acta A"},{"key":"10.1016\/j.saa.2014.09.104_b0055","doi-asserted-by":"crossref","first-page":"253","DOI":"10.1016\/j.saa.2004.03.038","volume":"61","author":"Krishnakumar","year":"2005","journal-title":"Spectrochim. Acta A"},{"key":"10.1016\/j.saa.2014.09.104_b0060","doi-asserted-by":"crossref","first-page":"898","DOI":"10.1016\/j.saa.2008.02.016","volume":"71","author":"Sundaraganesan","year":"2008","journal-title":"Spectrochim. Acta A"},{"key":"10.1016\/j.saa.2014.09.104_b0290","first-page":"m363","author":"Gao","year":"2004","journal-title":"Acta Cryst"},{"key":"10.1016\/j.saa.2014.09.104_b0070","doi-asserted-by":"crossref","first-page":"119","DOI":"10.1016\/S0162-0134(96)00192-4","volume":"66","author":"Broadhurst","year":"1997","journal-title":"J. Inorg. Biochem."},{"key":"10.1016\/j.saa.2014.09.104_b0075","doi-asserted-by":"crossref","first-page":"203","DOI":"10.1081\/SIM-120003203","volume":"32","author":"Singh","year":"2002","journal-title":"Synth., React. Inorg Met. \u2013 Org. Chem."},{"key":"10.1016\/j.saa.2014.09.104_b0080","doi-asserted-by":"crossref","first-page":"89","DOI":"10.1016\/S0022-2860(03)00247-3","volume":"655","author":"Koczon","year":"2003","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.saa.2014.09.104_b0085","doi-asserted-by":"crossref","first-page":"876","DOI":"10.1016\/j.saa.2008.02.014","volume":"71","author":"Karaback","year":"2008","journal-title":"SpectroChim. Acta A"},{"key":"10.1016\/j.saa.2014.09.104_b0090","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.molstruc.2012.02.042","volume":"1017","author":"Nagabalasubramanian","year":"2012","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.saa.2014.09.104_b0095","doi-asserted-by":"crossref","first-page":"411","DOI":"10.1016\/S0022-2860(00)00936-4","volume":"565\u2013566","author":"Sala","year":"2001","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.saa.2014.09.104_b0100","unstructured":"M.J. Frisch et al., Gaussion 03 Program, Gaussian, Inc., Wallingford, CT, 2004."},{"key":"10.1016\/j.saa.2014.09.104_b0105","doi-asserted-by":"crossref","first-page":"760","DOI":"10.3390\/i8080760","volume":"8","author":"Hakan","year":"2007","journal-title":"Int. J. Mol. Sci."},{"key":"10.1016\/j.saa.2014.09.104_b0110","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.molstruc.2012.05.048","volume":"1027","author":"Nataraj","year":"2012","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.saa.2014.09.104_b0115","unstructured":"R.I. Dennington, T. Keith, J. Millam, K. Eppinnett, W. Hovell, Gauss View Version, 2003."},{"key":"10.1016\/j.saa.2014.09.104_b0120","doi-asserted-by":"crossref","first-page":"829","DOI":"10.1016\/S1293-2558(01)01218-3","volume":"3","author":"Whitfield","year":"2001","journal-title":"Solid State Sci."},{"key":"10.1016\/j.saa.2014.09.104_b0295","series-title":"Spectroscopic Identification of Organic Compounds","author":"Silverstein","year":"1981"},{"key":"10.1016\/j.saa.2014.09.104_b0130","doi-asserted-by":"crossref","first-page":"918","DOI":"10.1016\/j.saa.2005.02.051","volume":"62","author":"Krishnakumar","year":"2005","journal-title":"Spectrochim. Acta Part A"},{"key":"10.1016\/j.saa.2014.09.104_b0135","doi-asserted-by":"crossref","first-page":"740","DOI":"10.1016\/j.saa.2005.02.043","volume":"62","author":"Sundaraganesan","year":"2005","journal-title":"Spectrochim. Acta Part A"},{"key":"10.1016\/j.saa.2014.09.104_b0140","first-page":"300","volume":"12","author":"Singh","year":"1974","journal-title":"Ind. J. Pure Appl. Phys."},{"key":"10.1016\/j.saa.2014.09.104_b0145","doi-asserted-by":"crossref","first-page":"959","DOI":"10.1002\/(SICI)1097-461X(1996)57:5<959::AID-QUA16>3.0.CO;2-S","volume":"57","author":"Sponer","year":"1996","journal-title":"Int. J. Quant. Chem."},{"key":"10.1016\/j.saa.2014.09.104_b0150","series-title":"Introduction to Infrared and Raman Spectroscopy","author":"Colthup","year":"1964"},{"key":"10.1016\/j.saa.2014.09.104_b0155","series-title":"Infrared and Raman Characteristic Group Frequencies \u2013Tables and Charts","author":"Socrates","year":"2001"},{"key":"10.1016\/j.saa.2014.09.104_b0160","series-title":"Characteristic Raman Frequencies of Organic Compounds","author":"Dollish","year":"1997"},{"key":"10.1016\/j.saa.2014.09.104_b0165","first-page":"95","volume":"41","author":"Krishnakumar","year":"2003","journal-title":"Ind. J. Pure Appl. Phys."},{"issue":"4","key":"10.1016\/j.saa.2014.09.104_b0170","first-page":"347","volume":"75","author":"Singh","year":"2001","journal-title":"Ind. J. Phys. B"},{"key":"10.1016\/j.saa.2014.09.104_b0175","series-title":"Spectrometric Identification of Organic Compounds","author":"Silverstein","year":"1981"},{"key":"10.1016\/j.saa.2014.09.104_b0180","doi-asserted-by":"crossref","first-page":"1907","DOI":"10.1016\/j.saa.2008.07.009","volume":"71","author":"Umar","year":"2009","journal-title":"Spectrochim. Acta Part A"},{"key":"10.1016\/j.saa.2014.09.104_b0185","first-page":"626","volume":"23","author":"Yadav","year":"1985","journal-title":"Ind. J. Pure. Appl. Phys."},{"key":"10.1016\/j.saa.2014.09.104_b0190","first-page":"230","volume":"36","author":"Velcheva","year":"2004","journal-title":"Bulg. Chem. Commun."},{"key":"10.1016\/j.saa.2014.09.104_b0195","doi-asserted-by":"crossref","first-page":"59","DOI":"10.1016\/j.molstruc.2010.07.025","volume":"981","author":"Subashchandrabose","year":"2010","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.saa.2014.09.104_b0200","first-page":"149","volume":"53","author":"Gunasekaran","year":"2008","journal-title":"Can. J. Anal. Sci. Spectrosc."},{"key":"10.1016\/j.saa.2014.09.104_b0205","series-title":"Frontier Orbitals and Organic Chemical Reactions","author":"Fleming","year":"1976"},{"key":"10.1016\/j.saa.2014.09.104_b0210","doi-asserted-by":"crossref","first-page":"444","DOI":"10.1016\/j.saa.2011.07.076","volume":"82","author":"Asiri","year":"2011","journal-title":"Spectrochim. Acta A"},{"key":"10.1016\/j.saa.2014.09.104_b0215","doi-asserted-by":"crossref","first-page":"160","DOI":"10.1016\/j.saa.2010.09.016","volume":"78","author":"Kosar","year":"2011","journal-title":"Spectrochim. Acta A"},{"key":"10.1016\/j.saa.2014.09.104_b0220","doi-asserted-by":"crossref","first-page":"12974","DOI":"10.1021\/jp960669l","volume":"100","author":"Kohn","year":"1996","journal-title":"J. Phys. Chem."},{"key":"10.1016\/j.saa.2014.09.104_b0225","doi-asserted-by":"crossref","first-page":"7512","DOI":"10.1021\/ja00364a005","volume":"105","author":"Parr","year":"1983","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.saa.2014.09.104_b0230","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1007\/s002140050307","volume":"99","author":"Politzer","year":"1998","journal-title":"Theor. Chem. Acc."},{"key":"10.1016\/j.saa.2014.09.104_b0235","doi-asserted-by":"crossref","first-page":"2418","DOI":"10.1063\/1.448335","volume":"82","author":"Schwenke","year":"1985","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2014.09.104_b0240","doi-asserted-by":"crossref","first-page":"4728","DOI":"10.1063\/1.465106","volume":"98","author":"Gutowski","year":"1993","journal-title":"J. Chem. Phys."},{"key":"10.1016\/j.saa.2014.09.104_b0245","doi-asserted-by":"crossref","first-page":"2094","DOI":"10.1021\/ja00084a055","volume":"116","author":"Andraud","year":"1994","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.saa.2014.09.104_b0250","doi-asserted-by":"crossref","first-page":"15651","DOI":"10.1021\/ja035862p","volume":"125","author":"Geskin","year":"2003","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.saa.2014.09.104_b0255","doi-asserted-by":"crossref","first-page":"9648","DOI":"10.1021\/ja0115969","volume":"124","author":"Nakano","year":"2002","journal-title":"J. Am. Chem. Soc."},{"key":"10.1016\/j.saa.2014.09.104_b0260","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1016\/j.molstruc.2005.09.041","volume":"785","author":"Sajan","year":"2006","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.saa.2014.09.104_b0265","doi-asserted-by":"crossref","first-page":"74","DOI":"10.1016\/j.theochem.2009.02.036","volume":"904","author":"Sun","year":"2009","journal-title":"J. Mol. Struct.: Theochem."},{"key":"10.1016\/j.saa.2014.09.104_b0270","doi-asserted-by":"crossref","first-page":"264","DOI":"10.1016\/j.saa.2010.10.005","volume":"78 A","author":"Jesintha John","year":"2011","journal-title":"Spectrochim. Acta"},{"key":"10.1016\/j.saa.2014.09.104_b0275","unstructured":"<http:\/\/riodb01.ibase.aist.go.jp\/sdbs\/cgibin\/direct_frame_top.cgi>, Spectral Database for Organic Compounds, SDBS."},{"key":"10.1016\/j.saa.2014.09.104_b0300","volume":"vol. 5","author":"BevanOtt","year":"2000"},{"key":"10.1016\/j.saa.2014.09.104_b0285","doi-asserted-by":"crossref","first-page":"1115","DOI":"10.1016\/j.saa.2009.12.067","volume":"75","author":"Zhang","year":"2010","journal-title":"Spectrochim. Acta A"}],"container-title":["Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1386142514014620?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1386142514014620?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2018,9,28]],"date-time":"2018-09-28T20:53:14Z","timestamp":1538167994000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1386142514014620"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2015,2]]},"references-count":57,"alternative-id":["S1386142514014620"],"URL":"https:\/\/doi.org\/10.1016\/j.saa.2014.09.104","relation":{},"ISSN":["1386-1425"],"issn-type":[{"value":"1386-1425","type":"print"}],"subject":[],"published":{"date-parts":[[2015,2]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Spectroscopic and quantum chemical analysis of Isonicotinic acid methyl ester","name":"articletitle","label":"Article Title"},{"value":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.saa.2014.09.104","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"Crown copyright \u00a9 2014 Published by Elsevier B.V. All rights reserved.","name":"copyright","label":"Copyright"}]}}