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Theoretical evaluation of new nucleic acid bases. Ab initio study on tautomerism of 2,6-diaminopyrimidine (κ-base)

✍ Scribed by Jerzy Leszczyński


Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
403 KB
Volume
173
Category
Article
ISSN
0009-2614

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📜 SIMILAR VOLUMES


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