ioChem-Find: descriptors/neutral_molecules

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descriptors/neutral_molecules

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The original dataset source can be reviewed here

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Method

9 RB97D

Basis

9 6-31g*

Stoichiometry

2 C4H10
2 C5H12
2 C6H14
1 C2H6
1 C3H8
1 CH4

Program name

9 Gaussian

Calculation type

9 Geometry optimization Minimum

Institution

9 Institute of Chemical Research of...

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