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Ab initio study on transition states of formohydroxamic acid tautomerization in the presence of water molecules

✍ Scribed by Guruge, Amali G.; Dissanayake, Dhammike P.


Book ID
121494911
Publisher
Elsevier
Year
2014
Tongue
English
Weight
846 KB
Volume
1032
Category
Article
ISSN
2210-271X

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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