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Structural analysis of 5-fluorouracil and thymine solid solutions

✍ Scribed by Frederick G. Vogt; Joseph A. Vena; Manisha Chavda; Jacalyn S. Clawson; Mark Strohmeier; Maria E. Barnett

Book ID
103838535
Publisher
Elsevier Science
Year
2009
Tongue
English
Weight
977 KB
Volume
932
Category
Article
ISSN
0022-2860

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## Abstract __Ab initio__ molecular orbital calculations with an STO‐3__G__ basis have been performed to investigate the energetics and electronic properties of some 5‐substituted uracils and their 4‐OH tautomer forms with __R__ including F, CH~3~, and OMe. In all cases, the diketo form is more sta