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Fisher, Aidan A. E. – Journal of Chemical Education, 2020
The drive in computational methods and more intuitive software has seen a rise in the number of publications in this area in recent years. Computational simulations can be found in many areas of science from computational biology and chemistry to fundamental physics. These may help synthetic chemists in their drug discovery endeavors and…
Descriptors: Chemistry, Computation, Kinetics, Computer Software
Fisher, Aidan A.E. – Journal of Chemical Education, 2019
Computational approaches toward simulating chemical systems and evaluating experimental data has gathered great momentum in recent years. The onset of more powerful computers and advanced software has been instrumental to this end. This manuscript presents a hands-on activity which trains students in basic coding skills within the Matlab…
Descriptors: Computer Software, Chemistry, Quantum Mechanics, Energy
Arrabal-Campos, Francisco M.; Cortés-Villena, Alejandro; Fernández, Ignacio – Journal of Chemical Education, 2017
This paper presents a programming project named NMRviewer that allows students to visualize transformed and processed 1 H NMR data in an accessible, interactive format while allowing instructors to incorporate programming content into the chemistry curricula. Using the MATLAB graphical user interface development environment (GUIDE), students can…
Descriptors: Coding, Programming, Undergraduate Study, Undergraduate Students