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| transition state search using dynamics - This program discovers reaction mechanisms and solves the kinetics in an automated fashion. TS guess structures are obtained from accelerated trajectory simulations, and minima/products from the IRC. Finally, the kinetics is solved using KMC. | | Tags: tsscds | | This project has not yet categorized itself in the Trove Software Map |
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Registered: 2017-06-12 16:25 |
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