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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-A-M06-2X_6-31+(d,p) | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.806363786; Eh | |||
| 2-Mar-2019 | Monoterpenes-05-M06-2X | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.511137018; Eh | |||
| 2-Mar-2019 | Monoterpenes-03-M06-2X | Pahima, Efrat | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | - | -390.519795575; Eh | |||
| 19-Sep-2022 | /DDQ TS6B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -2755.98048989; Eh | |||
| 19-Sep-2022 | /DDQ TS6A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -2755.89875977; Eh | |||
| 19-Sep-2022 | /DDQ TS7A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -2755.96104459; Eh | |||
| 19-Sep-2022 | /DDQ TS8A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -2755.96180397; Eh | |||
| 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 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -4205.30216409; Eh | |||
| 19-Sep-2022 | /Thiophene IM0 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -1271.69896575; Eh |
Results 311-320 of 575 (Search time: 0.001 seconds).