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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
AcOH | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -228.914750822; Eh | |||
Arene | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -479.045285911; Eh | |||
Olefin | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -496.256615874; Eh | |||
Product | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -595.687909087; Eh | |||
Side_Product | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -379.624379165; Eh | |||
TS1 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -1207.71800786; Eh | |||
TS5 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -1096.62195861; Eh |
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