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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Mar-2020 | /M062X_BS1_optimized_structures m062_pha | G. Algarra, Andrés | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-31G(D,P) GEN | -308.259205547; 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 | |||
| 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 | allene_revcat_simple | dos Passos Gomes, Gabriel | Gaussian; 16; EM64M-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -116.603066261; 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 A_TS | dos Passos Gomes, Gabriel | Gaussian; 09; AM64L-G09RevC.01 | Geometry optimization TS | RM062X | - | -1227.24904348; Eh | |||
| 29-Jun-2018 | /upload/Me_oDCB B | dos Passos Gomes, Gabriel | Gaussian; 09; EM64L-G09RevC.01 | Geometry optimization Minimum | RM062X | - | -1227.27969329; 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/Me_oDCB D | dos Passos Gomes, Gabriel | Gaussian; 09; AM64L-G09RevC.01 | Geometry optimization Minimum | RM062X | - | -1227.35045127; Eh |
Results 31-40 of 326 (Search time: 0.002 seconds).