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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
31-May-2022 | TS4 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -2477.15696455; Eh | ||||
31-May-2022 | TS5 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2SVP | -3213.56188496; Eh | ||||
31-May-2022 | TS3 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2SVP | -1736.19866099; Eh | ||||
31-May-2022 | TS1 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -998.432125353; Eh | ||||
31-May-2022 | TS9 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -2714.80212336; Eh | ||||
31-May-2022 | TS7 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -2714.83191894; Eh | ||||
31-May-2022 | TS6 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -1975.47515061; Eh | ||||
31-May-2022 | TS8 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -1975.44765237; Eh | ||||
1-Jun-2022 | TS5_corr | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -3216.50304334; Eh | ||||
1-Jun-2022 | TS3_corr | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -1737.80305499; Eh |
Results 1-10 of 11 (Search time: 0.001 seconds).