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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 TS2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -4205.19004981; 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 | /Furan_Ph IM1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -3882.37523549; Eh | |||
 | 19-Sep-2022 | /Furan_Ph IM0 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -948.768545000; Eh | |||
 | 19-Sep-2022 | /Furan_Ph IM2A_prime | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -3882.33912844; Eh | |||
 | 19-Sep-2022 | /Furan_Ph IM2B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -3882.40530127; Eh | |||
 | 19-Sep-2022 | /Furan_Ph IM1B_prime | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -3522.60095080; Eh | |||
 | 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 TS4A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -3882.38017780; Eh |
Results 11-20 of 108 (Search time: 0.001 seconds).