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Conformational Behavior of Serine: An Experimental Matrix-Isolation FT-IR and Theoretical DFT(B3LYP)/6-31++G** Study

โœ Scribed by Lambie, Bert; Ramaekers, Riet; Maes, Guido


Book ID
127172181
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
206 KB
Volume
108
Category
Article
ISSN
1089-5639

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Matrix-isolation FT-IR and ab initio 6โ€“3
โœ Kristien Schoone; Linda Houben; Johan Smets; Ludwik Adamowicz; Guido Maes ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 727 KB

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