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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Sep-2022 | /Common_Structures Succinimide_Bpin | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -770.507343368; Eh | |||
| 19-Sep-2022 | /Thiophene IM1B_prime | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -3845.53185221; 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 IM1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -4205.30216409; 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 | /Thiophene IM0 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -1271.69896575; Eh | |||
| 19-Sep-2022 | /Thiophene TS3B_prime | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -4205.30373289; Eh |
Results 291-300 of 493 (Search time: 0.001 seconds).