Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
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 | ||||
24-Feb-2020 | /PaperStructures/Adducts A_N | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | CC-PVTZ | -559.632335083; Eh | ||||
24-Feb-2020 | /PaperStructures/Adducts A_W | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | CC-PVTZ | -422.195334037; Eh | ||||
24-Feb-2020 | /PaperStructures/Adducts N_W | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | CC-PVTZ | -290.385672764; Eh | ||||
24-Feb-2020 | /PaperStructures/Adducts W_W_W | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | CC-PVTZ | -229.424938835; Eh | ||||
24-Feb-2020 | /PaperStructures/Adducts Int_N_W | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | CC-PVTZ | -850.028529639; Eh | ||||
24-Feb-2020 | /PaperStructures/Adducts A_N_N_W | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | CC-PVTZ | -850.030454675; Eh | ||||
24-Feb-2020 | /PaperStructures/Adducts A_N_W_W | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | CC-PVTZ | -712.593621195; Eh |
Results 11-20 of 98 (Search time: 0.001 seconds).
Discover
Program name
- 98 Gaussian
Calculation type