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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 Br_anion | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RM062X | DEF2SVP | -2574.02294397; 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 | /Common_Structures I_anion | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RM062X | DEF2SVP | -297.796077603; 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 | /DDQ TS5A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -2755.88934875; 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 | /Furan_Cyc IM1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -3768.15291901; Eh | |||
 | 19-Sep-2022 | /Furan_Cyc IM2A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -3768.11275231; Eh | |||
 | 19-Sep-2022 | /Furan_Cyc IM1A | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RM062X | DEF2SVP | -3768.03854517; Eh | |||
 | 19-Sep-2022 | /Furan_Me TS1B | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | DEF2SVP | -3690.73429101; Eh |
Results 31-40 of 108 (Search time: 0.001 seconds).