Ucun, Fatih <br/><br/>
Molecular structures and vibrational frequencies of xanthine and its methyl derivatives (caffeine and theobromine) by ab initio Hartree-Fock and density functional theory calculations.  [electronic resource] 

 -  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy  Jun 2007 
 - 342-9 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.2006.07.029  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Caffeine--chemistry<br/>Mathematical Computing<br/>Models, Chemical<br/>Molecular Structure<br/>Spectrophotometry, Infrared<br/>Spectrum Analysis, Raman<br/>Theobromine--chemistry<br/>Vibration<br/>Xanthine--chemistry