ioChem-Find: GreenPhos

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GreenPhos

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The original dataset source can be reviewed here

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ROOT
- Gold_complexes
- Nickel_complexes
- Reference_molecules

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Method

50 BP86

Stoichiometry

2 C32H43AuClO3P
2 C35H43NiO6P
1 C12H21NiO3P
1 C12H27AuClP
1 C15H27NiO3P
1 C18H15AuClP
1 C20H27AuClP
1 C20H39AuClP
1 C20H43AuClP
1 C21H15NiO3P
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Program name

50 AMS

Calculation type

50 Frequencies

Author

50 Castro, Abril C.

Institution

50 Barcelona Supercomputing Center

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