1/1
YARP reaction database
Version 7 2022-09-09, 03:49
Version 6 2022-09-09, 00:48
Version 5 2022-06-05, 03:11
Version 4 2022-06-05, 02:28
Version 3 2022-02-20, 22:00
Version 2 2022-02-20, 21:52
Version 1 2021-06-10, 22:35
dataset
posted on 2022-09-09, 03:49 authored by Qiyuan ZhaoQiyuan ZhaoThis is a dataset generated by Yet Another Reaction Program (YARP), including pyGSM reaction pathways, Gaussian transitions states optimization file, IRC calculation results, etc.
Four systems are provided, 'KHP network' involves reactions of gamma-ketohydroperoxide and it's 12 intended products. 'Z-benchmark' involves reactants obtained from Zimmerman testing set.