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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Sep-2022 | /DDQ DDQ_Bpin | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -1895.23752361; Eh | |||
| 19-Sep-2022 | /DDQ IM0 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -1271.70966068; Eh | |||
| 19-Sep-2022 | /DDQ DDQ_P | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -860.805460707; Eh | |||
| 19-Sep-2022 | /DDQ DDQ | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -1484.18099936; Eh | |||
| 19-Sep-2022 | /DDQ TS5B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -2755.89972609; Eh | |||
| 19-Sep-2022 | /DDQ IM5B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -2756.00349004; Eh | |||
| 19-Sep-2022 | /DDQ IM7A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -2755.96737515; Eh | |||
| 19-Sep-2022 | /DDQ IM5A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -2755.90503651; Eh | |||
| 19-Sep-2022 | /DDQ IM6A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -2755.97505379; Eh | |||
| 19-Sep-2022 | /DDQ TS6B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -2755.98048989; Eh |
Results 1-10 of 108 (Search time: 0.001 seconds).