Atomistic mechanisms of the tautomerization of the G·C base pairs through the proton transfer: quantum-chemical survey
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DOI: 10.1007/s00894-021-04988-7
Abstract: This study is devoted to the investigation of the G·C*tO2(WC)↔G*NH3·C*t(WC), G·C*O2(WC)↔G*NH3·C*(WC) and G*·C*O2(WC)↔G*NH3·C(wWC)↓ tautomerization reactions occurring through the proton transfer, obtained at the MP2/6-311++G(2df,pd)//B3LYP/6-311++G(d,p) level of theory in gas phase under normal conditions (‘WC’ means… read more here.
Keywords: base pairs; proton transfer; nh3 nh3; base ... See more keywords