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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-Jun-2024 | /631Gd/M06 TS4 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM06 | 6-31G(D) | -347.741019815; Eh | |||
| 14-Jun-2024 | /def2SVP/M06 A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06 | DEF2SVP | -347.493969514; Eh | |||
| 14-Jun-2024 | /def2SVP/M06 B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06 | DEF2SVP | -347.499813727; Eh | |||
| 14-Jun-2024 | /631Gd/M06 TS3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM06 | 6-31G(D) | -347.752700347; Eh | |||
| 14-Jun-2024 | /631Gd/M06 A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM06 | 6-31G(D) | -347.755091882; Eh | |||
| 14-Jun-2024 | /def2SVP/M06 TS3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM06 | DEF2SVP | -347.491753371; Eh | |||
| 14-Jun-2024 | /def2SVP/M06 TS4 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM06 | DEF2SVP | -347.479454681; Eh | |||
| 14-Jun-2024 | /def2SVP/M06 TS2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM06 | DEF2SVP | -347.485897202; Eh | |||
 | 15-Jun-2024 | h2o_wfx | Nieto Faza, Olalla | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization Minimum | RM06 | DEF2SVP GEN | -76.3302337; Eh | |||
 | 15-Jun-2024 | asf5_wfx | Nieto Faza, Olalla | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization Minimum | RM06 | DEF2SVP GEN | -2734.2533454; Eh |
Results 581-590 of 604 (Search time: 0.002 seconds).