2010
Volume 10, Number 3, p.p. 108–110
Theoretical investigation of Gakhokidze’s rearrangment of carbohydrates within the scope of mathematical chemistry and quantum chemistry
G. Kvesitadze,a K.T. Kupatadzeb, * and M.I. Gvertsitelic
a S. Durmishidze Institute of Biotechnology and Biochemistry, David Agmasheneblis Kheivani, 10 km, 0159 Tbilisi, Georgia
b Faculty of Sciences and Art, Ilia State University, C. Cholokashvili Ave 3/5, 0162 Tbilisi, Georgia
c Department of Exact and Natural Sciences, Ivane Javakhishvili State University, Chavchavadze Ave 3, 0128 Tbilisi, Georgia
Gakhokidze’s rearrangement (intermolecular oxidation-reduction rearrangement of carbohydrates) has been investigated within the scope of mathematical chemistry (ANB-matrices method and Shannon’s informational entropy method) and quantum chemistry (AMI- method). Some peculiarities of this reaction are thereby revealed.
Keywords: AM1-method, ANB-matrices method, Gakhokidze’s rearrangement, Shannon’s informational entropy method