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 | /td-DFT 4x4-3L-3x3-ABA | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RwB97XD; TD-FC | 6-31G(D,P) GEN | -4142.5102036; Eh | ||||
8-Jun-2022 | /td-DFT 4x4-3L-ABA | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RwB97XD; TD-FC | 6-31G(D,P) GEN | -5518.9928939; Eh | ||||
8-Jun-2022 | /td-DFT 4x4-2L-AB | Mu, Manting | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RTD-wB97XD-FC | 6-31G(D,P) GEN | -3679.2920683; Eh | ||||
8-Jun-2022 | /td-DFT 4x4-4L-ABAB | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RwB97XD; TD-FC | 6-31G(D,P) GEN | -7358.6949552; Eh | ||||
8-Jun-2022 | /td-DFT 3x3-2L-AB | Mu, Manting | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RTD-wB97XD-FC | 6-31G(D,P) GEN | -2302.8179986; Eh | ||||
8-Jun-2022 | /td-DFT 3x3-3L-ABA | Mu, Manting | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RTD-wB97XD-FC | 6-31G(D,P) GEN | -3454.259153; Eh | ||||
8-Jun-2022 | /td-DFT 4x4-1L | Mu, Manting | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RTD-wB97XD-FC | 6-31G(D,P) GEN | -1839.5960405; Eh | ||||
8-Jun-2022 | /td-DFT 2x2-2L_AB | Mu, Manting | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RTD-wB97XD-FC | 6-31G(D) 6-31G(D,P) GEN | -1231.1676028; 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 | /td-DFT 3x3-1L | Mu, Manting | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RTD-wB97XD-FC | 6-31G(D,P) GEN | -1151.3796011; Eh |
Results 1-10 of 11 (Search time: 0.001 seconds).
Discover
Program name
- 11 Gaussian
Method