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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Feb-2016 | ICp-b-cis-trans | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RB97D3 | 6-311G** | -3793.35330953; Eh | |||
 | 29-Feb-2016 | FCb-cis-trans | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RB97D3 | 6-311G** | -2464.20967915; Eh | |||
 | 29-Feb-2016 | TS3a-trans-trans | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RB97D3 | 6-311G** | -3793.30974904; Eh | |||
 | 29-Feb-2016 | TS3a-trans | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RB97D3 | 6-311G** | -3793.31427060; Eh | |||
 | 29-Feb-2016 | Int3b-cis | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RB97D3 | 6-311G** | -3793.33946286; Eh | |||
 | 29-Feb-2016 | TS3b-cis | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RB97D3 | 6-311G** | -3793.33141503; Eh | |||
 | 29-Feb-2016 | FCa-trans-cis | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | RB97D3 | 6-311G** | -2464.20889831; Eh | |||
 | 29-Feb-2016 | Scan3a-trans-cis | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | - | 6-31G* | -3792.32284226; Eh | |||
 | 29-Feb-2016 | TS3b-trans-cis | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | - | 6-311G** | -3793.32494111; Eh | |||
 | 29-Feb-2016 | LO-ts3b-cis-cis | González Fabra, Joan | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Structure | - | 6-311G** | -3793.32355642; Eh |
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