Can electron attachment alter tautomeric equilibrium of guanine? Theoretical ab initio study

Electron correlation effects in the ab i

Electron correlation effects in the ab initio study on tautomerism of guanine

✍ Jerzy Leszczyński 📂 Article 📅 1990 🏛 Elsevier Science 🌐 English ⚖ 603 KB

The molecular structures of three guanine tautomers are examined using ab initio method at the MP2/6-31G\*\*//HF/6-3 IG level. The study predicts amino-oxo Gua N( 7)H tautomer (1) to be the global minimum. The second amino-ox0 Gua N( )H (2) and amino-hydroxy Gus\* N(9)H (3) tautomers have relative e