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New calculations reveal hidden pathways that let chemical reactions produce different products

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Summary

Chemical reactions are often understood as molecules crossing a high-energy saddle point, known as a transition state, before following a downhill pathway toward a product. Conventional quantum chemical calculations typically trace this single pathway to determine how a reaction proceeds.

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  1. Phys Center Factuality: Mostly factual US
    New calculations reveal hidden pathways that let chemical reactions produce different products

    Chemical reactions are often understood as molecules crossing a high-energy saddle point, known as a transition state, before following a downhill pathway toward a product. Conventional quantum chemical calculations typically trace this single pathway to determine how a...