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"Predicting Thermodynamic Properties of Alkanes by High-Throughput Force ..."

Zheng Gong et al. (2018)

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DOI: 10.1021/ACS.JCIM.8B00407

access: closed

type: Journal Article

metadata version: 2023-09-30

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Zheng Gong, Yanze Wu, Liang Wu, Huai Sun:
Predicting Thermodynamic Properties of Alkanes by High-Throughput Force Field Simulation and Machine Learning. J. Chem. Inf. Model. 58(12): 2502-2516 (2018)

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