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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 TS2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3882.27072831; Eh | |||
| 19-Sep-2022 | /Furan_Ph TS1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3882.26421935; 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_Me IM0 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -757.229698193; 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_Me IM2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -3690.80591214; 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_Me IM1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -3690.84878747; Eh | |||
| 19-Sep-2022 | /Furan_Me IM1A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -3690.73249133; Eh | |||
| 19-Sep-2022 | /Furan_Me TS1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3690.73429101; Eh |
Results 321-330 of 493 (Search time: 0.003 seconds).