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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Jun-2022 | enoneTS-IRC-R-triplet | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -1630.78554740; Eh | |||
 | 5-Jun-2022 | enoneTS-IRC-P-triplet | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -1630.77364373; Eh | |||
 | 5-Jun-2022 | enoneTS-triplet | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UB3LYP | DEF2SVP | -1630.73723407; Eh | |||
 | 5-Jun-2022 | ru-cat-triplet | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -940.884268406; Eh | |||
 | 5-Jun-2022 | TS3-dash | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UB3LYP | DEF2SVP | -3727.81717602; 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 |
Results 1-10 of 15 (Search time: 0.0 seconds).