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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Jun-2022 | IM5-dashdash-triplet | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -1630.76159568; Eh | |||
 | 5-Jun-2022 | IM5-dash-triplet | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | DEF2SVP | -1630.72948501; Eh | |||
 | 5-Jun-2022 | TS4-dashdash-triplet | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UB3LYP | DEF2SVP | -1630.73367939; Eh | |||
 | 5-Jun-2022 | TS4-dash-triplet | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UB3LYP | DEF2SVP | -1630.69008834; 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 | Cu_RingOpeningTS | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | UB3LYP | DEF2SVP | -2520.93621261; Eh |
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