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Item hits:
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
IM0 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -1207.74237156; Eh | |||
IM1 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -1207.72645697; Eh | |||
IM2 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -1207.74037676; Eh | |||
TS1 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | RB3LYP | DEF2SVP | -1207.71800786; Eh | |||
TS1-IRC | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | - | DEF2SVP | -1207.73765634; Eh |
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