Automated Transition State Theory Calculations for High-Throughput Kinetics. Bhoorasingh, P. L, Slakman, B. L, Seyedzadeh Khanshan, F., Cain, J. Y, & West, R. H The Journal of Physical Chemistry A, 121(37):6896–6904, September, 2017. Publisher: American Chemical Society
Paper doi bibtex @article{bhoorasingh_automated_2017,
title = {Automated {Transition} {State} {Theory} {Calculations} for {High}-{Throughput} {Kinetics}},
volume = {121},
issn = {1089-5639},
url = {http://dx.doi.org/10.1021/acs.jpca.7b07361},
doi = {10.1021/acs.jpca.7b07361},
number = {37},
journal = {The Journal of Physical Chemistry A},
author = {Bhoorasingh, Pierre L and Slakman, Belinda L and Seyedzadeh Khanshan, Fariba and Cain, Jason Y and West, Richard H},
month = sep,
year = {2017},
note = {Publisher: American Chemical Society},
pages = {6896--6904},
}
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