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Experimental matrix isolation and theoretical ab initio HF/6-31G(d, p) studies of infrared spectra of purine, adenine and 2-chloroadenine

✍ Scribed by M.J. Nowak; H. Rostkowska; L. Lapinski; J.S. Kwiatkowski; J. Leszczynski


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
1012 KB
Volume
50
Category
Article
ISSN
1386-1425

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The vibrational spectrum of 1-CH3-adenine was studied by the combined experimental matrix-isolation and theoretical ab initio SCF/6-31 + +G\*\* method. The imino N9H tautomer is largely predominant in Ar matrices in accordance with the theoretical energy predictions. Trace amounts of the imino N7H a