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Add new training reactions to Cyclic_Ether_Formation

Open xiaoruiDong opened this issue 3 years ago • 0 comments

New training reactions from my calculation at CBS-QB3 level of theory with 1D separable hindered rotor approximation by me (@xiaoruiDong) were added.

All original and intermediate files are included in the following link https://www.dropbox.com/sh/f8810pu17mw2oug/AACfOcZ3JyuZMHplxtbXdtCJa?dl=0

Please let me know if extra information is needed to review this PR. Thanks!

xiaoruiDong avatar May 14 '21 19:05 xiaoruiDong