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. |
---|---|---|---|---|---|---|---|---|---|---|---|
11-May-2018 | /positionsp1p2p3 NB10_Cs_opt_freq_pos2_ra | Segado, Mireia | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RPBE1PBE | - | -2697.49165806; Eh | ||||
11-May-2018 | /positionsp1p2p3 NB10_Cs_opt_freq_pos1_ra | Segado, Mireia | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RPBE1PBE | - | -2697.49082139; Eh | ||||
11-May-2018 | /mechanism_cesium NB10_Cs_C1_EHFHEH | Segado, Mireia | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPBE1PBE | - | -3027.04558943; Eh | ||||
11-May-2018 | /mechanism_cesium NB10_Cs_C1_EHFH | Segado, Mireia | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RPBE1PBE | - | -2950.68609238; Eh | ||||
11-May-2018 | /mechanism_cesium NB10_Cs_C1_EHFHEHCH | Segado, Mireia | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RPBE1PBE | - | -3103.39198418; Eh |
Results 31-35 of 35 (Search time: 0.002 seconds).
Discover
Calculation type