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Vreven, T., Byun, K.S., Komáromi, I., Dapprich, S., Montgomery, J.A., Morokuma, K. and Frisch, M.J. (2006) Combining Quantum Mechanics Methods with Molecular Mechanics Methods in ONIOM. Journal of Chemical Theory and Computation, 2, 815-826.
https://doi.org/10.1021/ct050289g

has been cited by the following article:

• TITLE: Mechanism of Degradation of Rice Starch Amylopectin by Oryzenin Using ONIOM Quantum Calculations [DFT/B3LYP/6-31+G(D, P): AM1]

  AUTHORS: Bamba El Hadji Sawaliho, N’Guessan Boka Robert

  KEYWORDS: Amylopectin, Hydrogen Bond, Theoretical Method, Starch, Oryzenin

  JOURNAL NAME: Computational Chemistry, Vol.10 No.4, August 31, 2022

  ABSTRACT: Understanding the molecular factors of rice degradation during its aging concerns our research team. This article emphasizes oryzenin-amylopectin. It aims to reveal the mechanism of amylopectin deterioration during rice aging. The research exploits the Natural Bond Analysis and ONION method at theory level DFT/B3LYP/6-31+G(d, p) and AM1. This methodological approach allows highlighting amylopectin transformation; oryzenin converts amylopectin into amyloidosis in continuous. This led to monosaccharides and disaccharides.