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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-May-2022 | TS2 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | DEF2SVP | -3711.03757680; Eh | |||
 | 30-May-2022 | Side_Product | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RB3LYP | DEF2SVP | -379.624379165; Eh | |||
 | 30-May-2022 | TS1 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RB3LYP | DEF2SVP | -1207.71800786; Eh | |||
 | 30-May-2022 | TS4 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -1096.60843367; Eh | |||
 | 30-May-2022 | TS3-IRC | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | DEF2SVP | -3711.01837866; Eh | |||
 | 30-May-2022 | TS2-IRC | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | DEF2SVP | -3710.82558269; Eh | |||
 | 30-May-2022 | TS3 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | DEF2SVP | -3711.01837866; Eh | |||
 | 30-May-2022 | TS1-IRC | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | DEF2SVP | -1207.73765634; Eh | |||
 | 30-May-2022 | TS4-IRC | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | DEF2SVP | -1096.47511848; Eh | |||
 | 30-May-2022 | Zn(OAc)2 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -2235.91965262; Eh |
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