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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Aug-2021 | tzd_8cum_me | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBEPBE | 6-311++G | -423.226135332; Eh | |||
 | 16-Jun-2021 | metallacumulene | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RPBEPBE | CC-PVTZ SDD GEN | -2198.02552864; Eh | |||
 | 16-Jun-2021 | allene_linked8 | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBEPBE | 6-311G(D,P) | -311.655565865; Eh | |||
 | 5-Aug-2021 | tz_8cum_me | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBEPBE | 6-311G | -423.222718883; Eh | |||
 | 16-Jun-2021 | mol_168 | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RPBEPBE | 6-311G(D,P) | -309.1875395; Eh | |||
 | 16-Jun-2021 | mol_96 | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RPBEPBE | 6-311G(D,P) | -309.1393896; Eh | |||
 | 16-Jun-2021 | dph_diyne_15 | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RPBEPBE | 6-311G(D,P) | -614.9693823; Eh | |||
 | 5-Aug-2021 | 8cum_me | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBEPBE | 6-311G(D,P) | -423.316672783; Eh | |||
 | 16-Jun-2021 | mol_144 | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RPBEPBE | 6-311G(D,P) | -309.179453; Eh | |||
 | 16-Jun-2021 | mol_60 | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RPBEPBE | 6-311G(D,P) | -309.1633488; Eh |
Results 21-30 of 43 (Search time: 0.0 seconds).