Theoretical evaluation of new nucleic ac
✍
Jerzy Leszczyński
📂
Article
📅
1991
🏛
Elsevier Science
🌐
English
⚖ 470 KB
The four most important tautomers of the title compound were studied by the ab initio LCAO-MO method at the MP2/ 6-31G\*\*//HF/3-21G level. All calculated structures are minima at the HF/3-2 1G potential energy surface with the dioxo tautomer 1 being the global minimum. 41~0 in a polar environment 1