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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Feb-2020 | /PaperStructures/Solvation/b3lyp/solution TS2WW | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | CC-PVTZ | -712.566653188; Eh | |||
 | 24-Feb-2020 | /PaperStructures/Solvation/b3lyp/solution TS2W | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | CC-PVTZ | -636.067008258; Eh | |||
 | 24-Feb-2020 | /PaperStructures/Solvation/b3lyp/solution TS2N | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | CC-PVTZ | -773.501454343; Eh | |||
 | 24-Feb-2020 | /PaperStructures/Minima Imine | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | CC-PVTZ | -483.158752526; Eh | |||
 | 24-Feb-2020 | /PaperStructures/Adducts W_W | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | CC-PVTZ | -152.942640477; Eh | |||
 | 24-Feb-2020 | /PaperStructures/Adducts A_N_W | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | CC-PVTZ | -636.108992967; Eh | |||
 | 24-Feb-2020 | /PaperStructures/Adducts N_N_W | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | CC-PVTZ | -504.298154258; Eh | |||
 | 24-Feb-2020 | /PaperStructures/Adducts N_W_W | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | CC-PVTZ | -366.866983514; Eh | |||
 | 24-Feb-2020 | /PaperStructures/Adducts A_W_W | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | CC-PVTZ | -498.672725819; Eh | |||
 | 24-Feb-2020 | /PaperStructures/Adducts N_N | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | CC-PVTZ | -427.816638070; Eh |
Results 21-30 of 460 (Search time: 0.002 seconds).