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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Jun-2018 | /upload/TBD C_TS | dos Passos Gomes, Gabriel | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | - | - | -608.162791030; Eh | |||
| 29-Jun-2018 | /upload A_to_B_TS | dos Passos Gomes, Gabriel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | - | - | -402.815738478; Eh | |||
| 29-Jun-2018 | /upload/Desktop/alec/upload A_to_B_TS | dos Passos Gomes, Gabriel | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | - | - | -402.815738478; Eh | |||
| 29-Jun-2018 | /upload/Me_oDCB B_TS | dos Passos Gomes, Gabriel | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | - | - | -1689.11875637; Eh | |||
| 29-Jun-2018 | /upload/Me_oDCB B1_TS | dos Passos Gomes, Gabriel | Gaussian; 09; AM64L-G09RevC.01 | Single point Structure | - | - | -1689.04189703; Eh |
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