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. |
---|---|---|---|---|---|---|---|---|---|---|---|
18-Mar-2019 | Concerted_eq_proton_transfer_with_tbd | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** | -840.648042027; Eh | ||||
18-Mar-2019 | Deprotonation_eq_with_triphenylguanidine | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** | -1300.00812071; Eh | ||||
18-Mar-2019 | Deprotonation_ax_with_Methyl_formanilide | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** | -842.094823435; Eh | ||||
24-Jun-2019 | Mo-3-1atm | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RM06 | 6-31+G** GENECP | -1824.75926830; Eh | ||||
24-Jun-2019 | Mo-9a-alt2 | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -1940.46273311; Eh | ||||
24-Jun-2019 | Mo-9a-Li | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -1785.73101516; Eh | ||||
24-Jun-2019 | Mo-9b | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -1979.75973133; Eh | ||||
24-Jun-2019 | Mo-9b-alt1 | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | - | 6-31+G** | -1979.74036353; Eh | ||||
24-Jun-2019 | Mo-ts-14-15-K | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2379.21831410; Eh | ||||
24-Jun-2019 | Mo-6 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2265.94216725; Eh |
Results 41-50 of 219 (Search time: 0.001 seconds).
Discover
Subject
Calculation type