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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_Me TS2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3690.73152280; Eh | |||
| 19-Sep-2022 | /Furan_Me TS1A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3690.73234009; Eh | |||
| 19-Sep-2022 | /Furan_Cyc IM0 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -834.534872416; Eh | |||
| 19-Sep-2022 | /Indole_NBS IM1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -4055.28705253; Eh | |||
| 19-Sep-2022 | /Indole_NBS IM1A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -4055.19807965; Eh | |||
| 19-Sep-2022 | /Indole_NBS IM2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -4055.25142316; Eh | |||
| 19-Sep-2022 | /Furan_Cyc IM2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -3768.11275231; Eh | |||
| 19-Sep-2022 | /Indole_NBS TS1A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -4055.19551241; Eh | |||
| 19-Sep-2022 | /Furan_Cyc TS1A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3768.03761184; Eh | |||
| 19-Sep-2022 | /Furan_Cyc TS2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3768.03811953; Eh |
Results 331-340 of 493 (Search time: 0.002 seconds).