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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: 8461 Downloads: 13186Like: 8

minimum energy path potential energy surface transition state stationary state imaginary mode

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