<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Sharma, Poornima</style></author><author><style face="normal" font="default" size="100%">Singh, Dheeraj K.</style></author><author><style face="normal" font="default" size="100%">Gupta, Vineet</style></author><author><style face="normal" font="default" size="100%">Asthana, B. P.</style></author><author><style face="normal" font="default" size="100%">Mishra, P. C.</style></author><author><style face="normal" font="default" size="100%">Singh, Ranjan K.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Study of hydration of sarcosine, formation of its zwitterion and their different oligomers in aqueous media: a Raman spectroscopic and theoretical study</style></title><secondary-title><style face="normal" font="default" size="100%">Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">DFT calculations</style></keyword><keyword><style  face="normal" font="default" size="100%">Hydration</style></keyword><keyword><style  face="normal" font="default" size="100%">Oligomer</style></keyword><keyword><style  face="normal" font="default" size="100%">Raman spectra</style></keyword><keyword><style  face="normal" font="default" size="100%">Sarcosine</style></keyword><keyword><style  face="normal" font="default" size="100%">Zwitterion</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2013</style></year><pub-dates><date><style  face="normal" font="default" size="100%">DEC</style></date></pub-dates></dates><publisher><style face="normal" font="default" size="100%">PERGAMON-ELSEVIER SCIENCE LTD</style></publisher><pub-location><style face="normal" font="default" size="100%">THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND</style></pub-location><volume><style face="normal" font="default" size="100%">116</style></volume><pages><style face="normal" font="default" size="100%">74-83</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;{Raman spectra of the biologically important molecule sarcosine (SAR) (C3H7NO2) were studied experimentally in aqueous solution at different concentrations. These spectra were also calculated theoretically using density functional theory (DFT) at the B3LYP/6-31 1++G(d,p) level. Further, all the observed normal modes were assigned through potential energy distribution (PED). Geometry optimization of SAR produced its three conformers with slightly different energies. The lowest energy conformer of SAR was selected for a systematic solvation study wherein different numbers of water molecules (nW&lt;/p&gt;</style></abstract><custom3><style face="normal" font="default" size="100%">Foreign</style></custom3><custom4><style face="normal" font="default" size="100%">2.129
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