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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 16-Jun-2021 | mol_48 | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RPBEPBE | 6-311G(D,P) | -309.1723936; Eh | |||
 | 16-Jun-2021 | mol_8 | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RPBEPBE | 6-311G(D,P) | -309.1880945; Eh | |||
 | 16-Jun-2021 | mol_0 | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RPBEPBE | 6-311G(D,P) | -309.1885437; 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_45 | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | 6-311G(D,P) | -614.969139711; 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 | |||
 | 6-Aug-2021 | metallacumulene_dsd | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RDSDPBEP86-FC | CC-PVDZ SDD GEN | -2196.0194824; 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 11-20 of 28 (Search time: 0.001 seconds).