Cheap but accurate calculation of chemical reaction rate constants from ab initio data, via system-specific, black-box force fields. Steffen, J. & Hartke, B. The Journal of Chemical Physics, 147(16):161701, April, 2017. Publisher: American Institute of PhysicsPaper doi bibtex @article{steffen_cheap_2017,
title = {Cheap but accurate calculation of chemical reaction rate constants from ab initio data, via system-specific, black-box force fields},
volume = {147},
issn = {0021-9606},
url = {https://doi.org/10.1063/1.4979712},
doi = {10.1063/1.4979712},
number = {16},
journal = {The Journal of Chemical Physics},
author = {Steffen, Julien and Hartke, Bernd},
month = apr,
year = {2017},
note = {Publisher: American Institute of Physics},
pages = {161701},
}
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