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MNDO and IR spectroscopic studies of tautomerism of isocytosine

✍ Scribed by S.G. Stepanian; E.D. Radchenko; G.G. Sheina; Yu.P. Blagoi

Book ID
107803253
Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
748 KB
Volume
216
Category
Article
ISSN
0022-2860

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The optimized geometries, complete harmonic force fields, and infrared ## Ž . intensities of isocytosine tautomers, amino-hydroxy and amino-oxoN 1 H, were calculated at the ab initio Hartree᎐Fock level using the 6-31G\* basis set. The theoretical force fields were scaled by empirical scale factor