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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 16-Mar-2023 | /Anisole-alternative-TSs Na-anisol-BR-product-solv_scanCHb_ts1b | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2746.42525369; Eh | |||
 | 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 4x4-4L-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 | /3x3 3x3-3L_ABC | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RwB97XD | 6-31G(D) 6-31G(D,P) GEN | -3454.25774036; Eh | |||
| 8-Jun-2022 | /3x3 3x3-3L_ABC | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RwB97XD | 6-31G(D) 6-31G(D,P) GEN | -3454.25774036; 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 4x4-4L-ABAB | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RwB97XD; TD-FC | 6-31G(D,P) GEN | -7358.6949552; Eh |
Results 1-8 of 8 (Search time: 0.001 seconds).