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Vibrational and NMR spectra and structures of lithium pyruvate monohydrate

✍ Scribed by Kazuhiko Hanai; Akio Kuwae; Yuriko Sugawa; Ko-Ki Kunimoto; Shiro Maeda

Book ID
103837699
Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
238 KB
Volume
837
Category
Article
ISSN
0022-2860

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Four of the most stable conformers of 2-amino-pyridine betaine (1-carboxymethyl-2-amino-pyridinium inner salt) monohydrates, 2-NH 2 PB$H 2 O, and one anhydrous were analyzed by the B3LYP/6-31G(d,p) calculations and compared with the X-ray data. Two types of optimized conformers can be distinguished: