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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Nov-2022 | TS2 | Liu, Lin | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | GENECP | -1335.40421481; Eh | |||
 | 1-Feb-2022 | TS2 | Laconsay, Croix | Gaussian; 16; AS64L-G16RevC.01 | Single point Structure | RB3LYP | DEF2SVP | - | |||
 | 31-May-2022 | TS2 | Prasad, Supreeth | Gaussian; 16; EM64W-G16RevA.03 | Single point TS | - | DEF2SVP | -1736.23515826; Eh | |||
 | 30-May-2022 | TS2 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | DEF2SVP | -3711.03757680; Eh | |||
 | 28-Apr-2020 | TS2 | Garcia Melchor, Max | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RwB97XD | SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN | -1998.71424446; Eh | |||
 | 5-Jun-2022 | TS2 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -1875.96989634; Eh | |||
 | 17-Jun-2022 | TS2 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | DEF2SVP | -3439.88420077; Eh | |||
 | 7-Jul-2022 | TS2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBE1PBE | DEF2TZVP | -1737.80216458; Eh | |||
 | 16-May-2023 | TS2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | DEF2SVPP | -3737.52068499; Eh | |||
 | 27-Jul-2023 | TS2 | Ahmed, Yusef | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RM062X | DEF2SVP | -2394.77121532; Eh | |||
 | 12-Aug-2023 | TS2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UwB97XD | DEF2SVP | -1870.77622092; Eh | |||
 | 28-Mar-2024 | TS2 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UM062X | 6-31G(D,P) | -815.093113887; Eh | |||
 | 28-Feb-2024 | TS2 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization TS | RM06L | DEF2SVP | -1294.77359278; Eh | |||
 | 28-Feb-2024 | TS2 | Alves, Erick | Gaussian; 16; EM64L-G16RevC.01 | Geometry optimization TS | RM06L | DEF2SVP | -1198.52223612; Eh | |||
 | 30-Apr-2024 | TS2 | Wang-Yeuk, Kong | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RM062X | 6-311G(D,P) | -804.947379084; Eh | |||
 | 3-Feb-2024 | TS2-3 | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization TS | RTPSSTPSS | DEF2SVP | -2641.07073613; Eh | |||
| 29-Mar-2020 | TS2-AsPh3 | Garcia Melchor, Max | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RwB97XD | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -13979.6884774; Eh | |||
 | 30-May-2022 | TS2-IRC | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | DEF2SVP | -3710.82558269; Eh | |||
| 29-Mar-2020 | TS2-noAsPh3 | Garcia Melchor, Max | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RwB97XD | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -11051.5121270; Eh | |||
 | 8-Sep-2021 | TS2-Pd-ArF-Sn | Peñas-Defrutos, Marconi N. | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RwB97XD | LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN | -2907.58827786; Eh |