"Automated reaction mechanisms and kinetics with the nudged elastic band ..."

Guan Zhang et al. (2022)

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DOI: 10.1002/JCC.26891

access: closed

type: Journal Article

metadata version: 2022-10-02

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Guan Zhang, Jin Li, Xinxin Liang, Zongkuan Liu:
Automated reaction mechanisms and kinetics with the nudged elastic band method-based AMK_Mountain and its description of the preliminary alkaline hydrolysis of nitrocellulose monomer. J. Comput. Chem. 43(22): 1513-1523 (2022)

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