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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 | /Benzofuran IM2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -4035.83295834; Eh | |||
 | 19-Sep-2022 | /Benzofuran IM1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -4035.86023527; Eh | |||
 | 19-Sep-2022 | /Pyrrole IM2A_prime | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -3901.77368156; Eh | |||
 | 19-Sep-2022 | /Pyrrole IM1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -3901.80515256; 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 | /Benzofuran IM0 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -1102.25585017; Eh | |||
 | 19-Sep-2022 | /DDQ IM6A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -2755.97505379; Eh |
Results 31-40 of 108 (Search time: 0.0 seconds).