Abstract
Molecular mechanics calculations have been performed for compounds that simulate fragments of starch macromolecules, for which the stearic energies are compared. The AM I quantum-chemical method is used with geometrical-parameter optimization for small compounds to calculate the electron structure and local state densities of the atoms.
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Ukrainian State Food Technology University, ul. Vladimirskaya 68, 252601 Kiev-17, Ukraine. Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 32, No. 5, pp. 291–294, September–October, 1996. Original article submitted November 27, 1995.
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Grekhov, A.M., Bobrovnik, L.D. & Gulyi, I.S. Quantum-chemical calculations on fragments of starch macromolecules. Theor Exp Chem 32, 254–257 (1996). https://doi.org/10.1007/BF01384061
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DOI: https://doi.org/10.1007/BF01384061