Journal Articles Journal of Chemical Theory and Computation Year : 2020

Defining, calculating and converging observables of kinetic transition networks

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hal-02509389 , version 1 (04-01-2021)

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T D Swinburne, David J Wales. Defining, calculating and converging observables of kinetic transition networks. Journal of Chemical Theory and Computation, 2020, ⟨10.1021/acs.jctc.9b01211⟩. ⟨hal-02509389⟩
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