Browsing by Author "Erdogan, S."
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Theoretical Study on the Self- and Water-Assisted Proton Transfer Reaction of Urazole
Erdogan, S.; Isin, D. Ozbakir (SPRINGER, 2014)The proton transfer reactions of urazole have been investigated theoretically by using the density functional theory at the B3LYP/6-311++G(d,p) level and single-point MP2 calculations with the same basis set. The influence ...