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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Sep-2022 | /Furan_Cyc TS1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3768.03778044; Eh | |||
| 19-Sep-2022 | /Indole_NBS IM0 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -1121.68406652; Eh | |||
| 19-Sep-2022 | /Indole_I2 IM2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -2312.29478646; Eh | |||
| 19-Sep-2022 | /Indole_I2 IM1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -2312.33255955; Eh | |||
| 19-Sep-2022 | /Indole_I2 IM0B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -2312.23215233; Eh | |||
| 19-Sep-2022 | /Indole_I2 IM1A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -2312.25009134; Eh | |||
| 19-Sep-2022 | /Indole_NBS TS1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -4055.17915621; Eh | |||
| 19-Sep-2022 | /Indole_NBS TS2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM062X | DEF2SVP | -4055.19026579; Eh | |||
| 19-Sep-2022 | /Indole_I2 TS0B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -2312.22052709; Eh | |||
| 19-Sep-2022 | /Indole_I2 TS1A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -2312.21932724; Eh |
Results 341-350 of 493 (Search time: 0.001 seconds).