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Exploring Potential Energy Surface with Mathematica: An Algorithmic Demonstration of Minimum Energy Path, Stationary Points and Transition State
by Krishnamohan G. P., Omar H., Sreeja T. D. and Roy K. B.
World Journal of Chemical Education. 2022, 10(4), 124-130. DOI: 10.12691/wjce-10-4-1
Pub. Date: September 12, 2022Views: 8602Downloads: 13424
minimum energy path potential energy surface transition state stationary state imaginary mode
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