datasets/65/CHO-methane-combustion #239
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为什么要用6-31G?我觉得极化函数应该还是要加的吧,起码用6-31G* |
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datasets/65/CHO-methane-combustion
https://www.aissquare.com/datasets/detail?pageType=datasets&name=CHO-methane-combustion&id=65
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