Add new training reactions to Cyclic_Ether_Formation#480
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xiaoruiDong wants to merge 1 commit intomainfrom
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Add new training reactions to Cyclic_Ether_Formation#480xiaoruiDong wants to merge 1 commit intomainfrom
xiaoruiDong wants to merge 1 commit intomainfrom
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Calculations were done at CBS-QB3 level of theory with 1D separable hindered rotor approximation by Xiaorui Dong.
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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!