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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Dec-2023 | /CoTMP2_pathways/explicit-noncoordinating-THF I1Co | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UwB97XD | LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN | -1922.64717346; Eh | |||
 | 22-Aug-2022 | /products CoNa2-prod-FH1-2cis2transb | Mu, Manting | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | - | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) | -3447.73210023; Eh | |||
| 19-Nov-2023 | /TBHP/proton-shuttle-intra Cp | Mu, Manting | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | - | SDD 6-31G(D,P) 6-31+G(D,P) | -1392.26389789; Eh |
Results 31-33 of 33 (Search time: 0.001 seconds).
Discover
Subject
Method
- 12 RTD-wB97XD-FC
- 8 RwB97XD
- 5 TD-FC
- 4 UwB97XD
- 2 RwB97XD-FC