Derek P. Metcalf, Andy Jiang, Steven A. Spronk, Daniel L. Cheney, C. David Sherrill. Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge. Journal of Chemical Information and Computer Sciences, 61(1):115-122, 2021. [doi]
@article{MetcalfJSCS21,
title = {Electron-Passing Neural Networks for Atomic Charge Prediction in Systems with Arbitrary Molecular Charge},
author = {Derek P. Metcalf and Andy Jiang and Steven A. Spronk and Daniel L. Cheney and C. David Sherrill},
year = {2021},
doi = {10.1021/acs.jcim.0c01071},
url = {https://doi.org/10.1021/acs.jcim.0c01071},
researchr = {https://researchr.org/publication/MetcalfJSCS21},
cites = {0},
citedby = {0},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {61},
number = {1},
pages = {115-122},
}