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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-May-2022 | Arene | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RB3LYP | DEF2SVP | -479.045285911; Eh | ||||
30-May-2022 | IM6 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -3711.01836762; Eh | ||||
30-May-2022 | IM4 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -3711.05661572; Eh | ||||
30-May-2022 | IM5 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -3711.07011845; Eh | ||||
30-May-2022 | IM2 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -1207.74037676; Eh | ||||
30-May-2022 | IM7 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -1096.62643732; Eh | ||||
30-May-2022 | IM1 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -1207.72645697; Eh | ||||
30-May-2022 | IM0 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -1207.74237156; Eh | ||||
30-May-2022 | IM3 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | DEF2SVP | -978.765751371; Eh |
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