Krishnakumar, V <br/><br/>
Simulation of IR and Raman spectral based on scaled DFT force fields: a case study of 2-amino 4-hydroxy 6-trifluoromethylpyrimidine, with emphasis on band assignment.  [electronic resource] 

 -  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy  Nov 2008 
 - 449-57 p.  digital 
<br/><br/> Publication Type: Journal Article 
<br/><br/><label>ISSN: </label>1386-1425 
<br/><br/><label>Standard No.: </label>10.1016/j.saa.2007.12.033  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Amines--chemistry<br/>Computer Simulation<br/>Models, Molecular<br/>Molecular Conformation<br/>Pyrimidines--chemistry<br/>Spectroscopy, Fourier Transform Infrared<br/>Spectrum Analysis, Raman<br/>Vibration