ioChem-Find: Eunicellane-Derived_Diterpenes

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Eunicellane-Derived_Diterpenes

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The original dataset source can be reviewed here

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Method

15 UB3LYP
2 RmPW1PW91
2 UmPW1PW91
1 RB3LYP

Basis

16 GEN
4 6-31+G(D,P)

Stoichiometry

10 C41H47FeN4OS
5 C21H16FeN4OS
3 C20H31
1 C20H30
1 C21H15FeN4OS

Program name

20 Gaussian

Calculation type

9 Single point Structure
8 Geometry optimization Minimum
2 Single point Minimum
1 Geometry optimization TS

Author

20 Tantillo, Dean

Institution

20 Barcelona Supercomputing Center

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