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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 2-Mar-2019 | Monoterpenes-04-M06-2X | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | - | |||
| 19-Sep-2022 | /DDQ IM5A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -2755.90503651; Eh | |||
| 19-Sep-2022 | /DDQ IM0 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -1271.70966068; Eh | |||
| 2-Mar-2019 | Monoterpenes-01-M06-2X | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.519436324; Eh | |||
| 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 TS2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -4205.19004981; 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 P_trans | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -537.877852482; Eh |
Results 351-360 of 575 (Search time: 0.029 seconds).