THEORETICAL STUDIES OF THE FUNDAMENTAL AND OVERTONE SPECTRUM OF OXALIC ACID
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Date
2007
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Publisher
Ohio State University
Abstract
The vibrational frequencies and intensities for all states up to two quanta are calculated for oxalic acid (C$_2$H$_2$O$_4$) at the CCSD(T) level. The effect of different internal hydrogen bonding configurations on the OH stretching level structures for the five conformers studied is discussed.
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Author Institution: Department of Chemistry and Biochemistry, University of Texas at Austin, Austin, TX 78712