"Learning Chemistry of Complex Reaction Systems via a Python ..."

Udit Gupta, Dionisios G. Vlachos (2021)

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DOI: 10.1021/ACS.JCIM.1C00297

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type: Journal Article

metadata version: 2022-10-02

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Udit Gupta, Dionisios G. Vlachos:
Learning Chemistry of Complex Reaction Systems via a Python First-Principles Reaction Rule Stencil (pReSt) Generator. J. Chem. Inf. Model. 61(7): 3431-3441 (2021)

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