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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Jul-2022 | TS5__RC | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -3216.87088500; Eh | |||
 | 7-Jul-2022 | TS4__RC | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -2477.52468198; Eh | |||
 | 7-Jul-2022 | TS4_ | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -2477.48965286; Eh | |||
 | 7-Jul-2022 | TS9 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -2714.80212336; Eh | |||
 | 7-Jul-2022 | C6H5F | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -331.251442169; Eh | |||
 | 7-Jul-2022 | TS4 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -2477.15696455; Eh | |||
 | 7-Jul-2022 | TS7 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -2714.83191894; Eh | |||
 | 7-Jul-2022 | TS8 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -1975.44765237; Eh | |||
 | 7-Jul-2022 | TS5 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -3216.50304334; Eh | |||
 | 7-Jul-2022 | TS6 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -1975.47515061; Eh |
Results 21-30 of 39 (Search time: 0.001 seconds).