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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Jul-2022 | TS3_ | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -1738.14365767; Eh | |||
 | 7-Jul-2022 | TS2_ | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -1738.13419331; Eh | |||
 | 7-Jul-2022 | TS4_ | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -2477.48965286; Eh | |||
 | 7-Jul-2022 | TS1_ | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -998.791268774; Eh | |||
 | 7-Jul-2022 | TS3 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -1737.80305499; Eh | |||
 | 7-Jul-2022 | TS4 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -2477.15696455; Eh | |||
 | 7-Jul-2022 | TS9 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -2714.80212336; Eh | |||
 | 7-Jul-2022 | TS7 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -2714.83191894; Eh | |||
 | 7-Jul-2022 | TS2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -1737.80216458; Eh | |||
 | 7-Jul-2022 | TS5 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -3216.50304334; Eh |
Results 1-10 of 14 (Search time: 0.001 seconds).