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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_Ph TS1A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3882.27309000; Eh | |||
| 19-Sep-2022 | /Furan_Ph P_cis | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -537.872541374; Eh | |||
| 19-Sep-2022 | /Furan_Ph TS3B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3882.38434965; Eh | |||
| 19-Sep-2022 | /Furan_Cyc IM1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -3768.15291901; 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 | /Furan_Cyc IM1A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -3768.03854517; 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 IM0 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -834.534872416; 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 |
Results 361-370 of 575 (Search time: 0.001 seconds).