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Gaussian Tutorial (Lec-14) IRC Calculation in Gaussian 16 | Intrinsic Reaction Coordinate Tutorial
Ref: https://www.science.org/doi/10.1126/science.aac9668 In this tutorial, we perform an Intrinsic Reaction Coordinate (IRC) calculation in Gaussian 16 to verify the transition state and trace the reaction pathway between reactants and products. The video covers: • Introduction to IRC calculations • Why IRC analysis is important in ...
167 views1 month ago
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