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. |
---|---|---|---|---|---|---|---|---|---|---|---|
15-Dec-2021 | TS(3Aexo) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -1769.7401465; Eh | ||||
15-Dec-2021 | TS(3Aendo) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -1769.738513; Eh | ||||
15-Dec-2021 | TS(3Bendo) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -1769.7308121; Eh | ||||
15-Dec-2021 | TS(3Bexo) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -1769.733393; Eh | ||||
15-Dec-2021 | TS(2Aendo) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -1769.7469154; Eh | ||||
15-Dec-2021 | TS(2Aexo) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -1769.7440546; Eh | ||||
15-Dec-2021 | 2g_(from_endo) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -1769.8159023; Eh | ||||
15-Dec-2021 | 2g_(from_exo) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -1769.8159023; Eh | ||||
15-Dec-2021 | cHT_npa | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -884.8796806; Eh | ||||
15-Dec-2021 | TS(2Bendo) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -1769.739152; Eh |
Results 1-10 of 16 (Search time: 0.001 seconds).
Discover
Subject
- 16 biradical
- 16 Cycloaddition
- 16 Diels–Alder reaction
- 16 Rhodium
- 16 Spiro compounds
- 16 stepwise
Calculation type