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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Jun-2022 | IM1-dash | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -1664.74979753; Eh | |||
 | 5-Jun-2022 | IM2 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -1452.09143775; Eh | |||
 | 5-Jun-2022 | IM3 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -1876.00947667; Eh | |||
 | 5-Jun-2022 | IM4 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -1647.04873679; Eh | |||
 | 5-Jun-2022 | Cu_RingOpeningTS-IRC-P-noAcOH | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -2291.98368317; Eh | |||
 | 5-Jun-2022 | Cu_RingOpeningTS-quartet-R | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -2520.91069623; Eh | |||
 | 5-Jun-2022 | Cu_RingOpeningTS-IRC-R | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -2520.97690286; Eh | |||
 | 5-Jun-2022 | Cu_RingOpeningTS-IRC-P | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -2520.94800318; Eh | |||
 | 5-Jun-2022 | cuoac2 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -2097.03547352; Eh | |||
 | 5-Jun-2022 | cyclopropanol | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | DEF2SVP | -423.896130327; Eh |
Results 21-30 of 35 (Search time: 0.001 seconds).