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The intramolecular hydrogen bond (IMHB) of the neutral, cationic, and anionic cis-urocanic acid (cis-UCA, (Z)-3-(I'H-imidazol-4'(5')-yl)propenoic acid) is studied using ab initio calculations up to the MP2/6-31+G** level of theory. The IMHB energies are estimated by first showing a near to perfect linear correlation between the hydrogen bond energies of modified cis-urocanic acid structures and the...
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