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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 TS4B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3522.55848311; Eh | |||
 | 19-Sep-2022 | /Furan_Ph TS3B_prime | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3882.37954286; 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 TS1A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3690.73234009; Eh | |||
 | 19-Sep-2022 | /Benzofuran TS2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -4035.74913407; 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 | /Indole_NBS TS1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -4055.17915621; 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 | /Benzofuran TS1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -4035.74858563; Eh | |||
 | 19-Sep-2022 | /Pyrrole TS1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3901.69737488; Eh |
Results 121-130 of 168 (Search time: 0.001 seconds).