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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_Me IM0 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -757.229698193; 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_Cyc IM0 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -834.534872416; Eh | |||
![]() | 19-Sep-2022 | /Indole_NBS IM2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -4055.25142316; Eh | |||
![]() | 19-Sep-2022 | /Indole_I2_dimer IM1A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -2312.25009134; Eh | |||
![]() | 19-Sep-2022 | /Indole_I2_dimer IM1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -2312.33255955; Eh | |||
![]() | 19-Sep-2022 | /Indole_I2_dimer IM2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -2312.29478646; Eh | |||
![]() | 19-Sep-2022 | /Pyrrole IM1A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -3901.71784788; Eh | |||
![]() | 19-Sep-2022 | /Pyrrole IM0 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -968.197804106; Eh |
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