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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/Me_oDCB A_TS | dos Passos Gomes, Gabriel | Gaussian; 09; AM64L-G09RevC.01 | Geometry optimization TS | RM062X | - | -1227.24904348; Eh | |||
| 29-Jun-2018 | /upload/Me_oDCB C_TS | dos Passos Gomes, Gabriel | Gaussian; 09; AM64L-G09RevC.01 | Geometry optimization TS | RM062X | - | -1227.26739340; Eh | |||
| 29-Jun-2018 | /upload/Me_oDCB C | dos Passos Gomes, Gabriel | Gaussian; 09; AM64L-G09RevC.01 | Geometry optimization Minimum | RM062X | - | -1227.31956282; Eh | |||
| 29-Jun-2018 | /upload/prototype A_TS | dos Passos Gomes, Gabriel | Gaussian; 09; EM64L-G09RevC.01 | Geometry optimization TS | RM062X | - | -596.850736827; Eh | |||
| 29-Jun-2018 | /upload/prototype B | dos Passos Gomes, Gabriel | Gaussian; 09; EM64L-G09RevC.01 | Geometry optimization Minimum | RM062X | - | -596.903248275; Eh | |||
| 29-Jun-2018 | /upload/prototype A | dos Passos Gomes, Gabriel | Gaussian; 09; EM64L-G09RevC.01 | Geometry optimization Minimum | RM062X | - | -596.916243203; Eh | |||
| 3-Aug-2018 | alkyne_revcat_simple | dos Passos Gomes, Gabriel | Gaussian; 16; EM64M-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -116.602735488; Eh | |||
| 3-Aug-2018 | rev_TS_guaMe_2 | dos Passos Gomes, Gabriel | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RM062X | - | -686.704648052; Eh | |||
| 3-Aug-2018 | rev_TS_TBD_ | dos Passos Gomes, Gabriel | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -841.536499015; Eh | |||
| 29-Jun-2018 | /upload B_gua_complex | dos Passos Gomes, Gabriel | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RM062X | - | -608.216492277; Eh |
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