Video Demonstrations of a Benzene Derivative Reaction from Its Optimized Intermediate Structure
Authors: Awal Jumaidil , Martoprawiro Muhamad Abdulkadir 
Published: July 2024

A number of researchers have performed studies on the application of chemical reaction visualization by means of computational chemistry techniques for the purpose of teaching and learning chemistry at secondary and higher education levels. However, on practical grounds, the presented approach thus far was generally unattainable for teachers due to the time-consuming process of finding the transition states. This research offers a less time-consuming computational chemistry technique for producing organic reaction-modelling videos upon which the students may sufficiently build their understanding of fundamental concepts of chemical reactions. The technique being proposed here consists of (1) intermediate structure modelling, (2) reactant-wise and product-wise optimizations of the intermediate structures without the search for transition states, and (3) visualizations of the optimized results. 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