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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Jun-2022 | /4x4 4x4-3L_ABA | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D) 6-31G(D,P) GEN | -5518.99289394; Eh | |||
| 8-Jun-2022 | /4x4 4x4-4L_ABAB | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D) 6-31G(D,P) GEN | -7358.69495517; Eh | |||
| 8-Jun-2022 | /3x3 3x3-2L_AB | Mu, Manting | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RwB97XD | 6-31G(D) 6-31G(D,P) GEN | -2302.81799857; Eh | |||
| 8-Jun-2022 | /4x4 4x4-2L_AB | Mu, Manting | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RwB97XD | 6-31G(D) 6-31G(D,P) GEN | -3679.29206825; Eh | |||
| 8-Jun-2022 | /4x4 4x4-1L | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D) 6-31G(D,P) GEN | -1839.59608261; Eh | |||
| 8-Jun-2022 | /3x3 3x3-1L | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D) 6-31G(D,P) GEN | -1151.37962247; Eh | |||
| 8-Jun-2022 | /td_DFT 2x2-1L | Mu, Manting | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RwB97XD-FC | 6-31G(D) 6-31G(D,P) GEN | -615.5695113; Eh | |||
| 8-Jun-2022 | /2x2 2x2-2L_AA | Mu, Manting | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RwB97XD | 6-31G(D) 6-31G(D,P) GEN | -1231.16773197; Eh | |||
| 8-Jun-2022 | /3x3 3x3-3L_ABA | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D) 6-31G(D,P) GEN | -3454.25895737; Eh | |||
| 8-Jun-2022 | /2x2 2x2-2L_AB | Mu, Manting | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Minimum | RwB97XD | 6-31G(D) 6-31G(D,P) GEN | -1231.16760277; Eh |
Results 1-10 of 20 (Search time: 0.001 seconds).