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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Sep-2022 | /Thiophene TS1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -4205.19474136; Eh | |||
 | 19-Sep-2022 | /Thiophene IM3A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -4205.30368852; Eh | |||
 | 19-Sep-2022 | /Thiophene IM2B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -4205.33118641; Eh | |||
 | 19-Sep-2022 | /Thiophene IM2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -4205.26501057; Eh | |||
 | 19-Sep-2022 | /Thiophene TS2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -4205.19004981; Eh | |||
 | 19-Sep-2022 | /Thiophene TS3B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -4205.30925089; Eh | |||
 | 19-Sep-2022 | /Thiophene TS2B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM062X | DEF2SVP | -4205.30676242; Eh | |||
 | 19-Sep-2022 | /Thiophene P_trans | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -860.801576976; Eh | |||
 | 19-Sep-2022 | /Thiophene P_cis | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -860.795296332; Eh | |||
 | 19-Sep-2022 | /Furan_Ph TS2A_prime | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3882.25877281; Eh |
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