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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Sep-2022 | /Indole_I2 TS2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -2312.23904620; Eh | |||
 | 19-Sep-2022 | /Pyrrole TS1A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3901.71482168; Eh | |||
 | 19-Sep-2022 | /Pyrrole TS1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3901.69737488; Eh | |||
 | 19-Sep-2022 | /Pyrrole TS2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3901.71280862; 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 TS5A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -2755.88934875; Eh | |||
 | 19-Sep-2022 | /Thiophene TS4B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3845.48279586; 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_Me TS1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3690.73429101; Eh | |||
 | 19-Sep-2022 | /Furan_Me TS2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3690.73152280; Eh |
Results 11-20 of 70 (Search time: 0.001 seconds).