Zheng Gong, Yanze Wu, Liang Wu, Huai Sun. Predicting Thermodynamic Properties of Alkanes by High-Throughput Force Field Simulation and Machine Learning. Journal of Chemical Information and Computer Sciences, 58(12):2502-2516, 2018. [doi]
@article{GongWWS18,
title = {Predicting Thermodynamic Properties of Alkanes by High-Throughput Force Field Simulation and Machine Learning},
author = {Zheng Gong and Yanze Wu and Liang Wu and Huai Sun},
year = {2018},
doi = {10.1021/acs.jcim.8b00407},
url = {https://doi.org/10.1021/acs.jcim.8b00407},
researchr = {https://researchr.org/publication/GongWWS18},
cites = {0},
citedby = {0},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {58},
number = {12},
pages = {2502-2516},
}