Quantum Chemical Investigations on C14C10-Branched-Chain Glucoside Isomers Towards Understanding Self-Assembly

Density Functional Theory (DFT) calculations have been carried out using a Polarizable Continuum Model (PCM) in an attempt to investigate the electro-molecular properties of branched-chain glucoside (C14C10-D-glucoside) isomers. The results showed that αconfiguration of pyranoside form is thermodyn...

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Bibliographic Details
Main Authors: Imene Bayach, Teng Yong Tan, Vijay Manickam Achari, Rauzah Hashim
Format: Article
Language:English
Published: Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR 2020-06-01
Series:Iranian Journal of Chemistry & Chemical Engineering
Subjects:
dft
aim
nbo
Online Access:http://www.ijcce.ac.ir/article_34563_ad6c2f887404872ca05ebc25badeda13.pdf