Number of items: 7.
2022
Ismail, Idil, Chantreau Majerus, Raphael and Habershon, Scott
(2022)
Graph-driven reaction discovery : progress, challenges, and future opportunities.
The Journal of Physical Chemistry A, 126
(40).
pp. 7051-7069.
doi:10.1021/acs.jpca.2c06408
Ismail, Idil, Robertson, Christopher and Habershon, Scott
(2022)
Data for Successes and challenges in using machine-learned activation energies in kinetic simulations.
[Dataset]
Ismail, Idil, Robertson, Christopher and Habershon, Scott
(2022)
Successes and challenges in using machine-learned activation energies in kinetic simulations.
The Journal of Chemical Physics, 57
(1).
014109.
doi:10.1063/5.0096027
2020
Robertson, Christopher, Ismail, Idil and Habershon, Scott
(2020)
Data for Traversing dense networks of elementary chemical reactions to predict minimum-energy reaction mechanisms.
[Dataset]
2019
Robertson, Christopher, Ismail, Idil and Habershon, Scott
(2019)
Traversing dense networks of elementary chemical reactions to predict minimum‐energy reaction mechanisms.
ChemSystemsChem, 2
(4).
e1900047.
doi:10.1002/syst.201900047
Ismail, Idil, Stuttaford-Fowler, Holly B. V. A., Ochan-Ashok, Curtis, Robertson, Christopher and Habershon, Scott
(2019)
Automatic proposal of multistep reaction mechanisms using a graph-driven search.
The Journal of Physical Chemistry A, 123
(15).
pp. 3407-3417.
doi:10.1021/acs.jpca.9b01014
Ismail, Idil, Stuttaford-Fowler, Holly, Ochan-Ashok, Curtis, Robertson, Christopher and Habershon, Scott
(2019)
Data for Automatic proposal of multi-step reaction mechanisms using a graph-driven search.
[Dataset]
This list was generated on Sat Jan 28 11:49:21 2023 GMT.