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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Jan-2019 | /Solv_Opt/B97D3/Reactants/Cat Cat | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D3 | 6-311G** | -1179.54434702; Eh | |||
 | 30-Jan-2019 | /Solv_Opt/B97D3/Int_1 Int_1 | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D3 | 6-311G** | -1502.13538057; Eh | |||
 | 30-Jan-2019 | /Solv_Opt/B97D3/Reactants/Epoxyhexane Epoxyhexane | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D3 | - | -310.948395996; Eh |
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