ioChem-Find: Co_ipso

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Co_ipso

CC-BY-4.0

The original dataset source can be reviewed here

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Subject

19 C-C coupling
19 Cobalt

Method

11 RPBE1PBE
8 UPBE1PBE

Basis

19 DEF2SVP

Stoichiometry

10 C40H45CoNO5
2 C12H18CoO2
2 C26H28CoO4
1 C28H27NO3
1 C2H4O2
1 C30H33NO6
1 C5H10O2
1 H2O

Program name

19 Gaussian

Calculation type

13 Geometry optimization Minimum
5 Geometry optimization TS
1 Single point Minimum

Author

19 Guo, Wentao

Institution

19 Barcelona Supercomputing Center

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