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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Jul-2023 | monomer_10 | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -554.268503230; Eh | |||
| 8-Jul-2023 | monomer_9 | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -1334.84624905; Eh | |||
| 8-Jul-2023 | monomer_2 | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -501.411807676; Eh | |||
| 8-Jul-2023 | monomer_1 | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -429.631050490; Eh | |||
| 8-Jul-2023 | ethylene | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -78.5126886880; Eh | |||
| 8-Jul-2023 | cis-poxa | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -1582.55457390; Eh | |||
| 8-Jul-2023 | monomer_1-open | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -508.157599659; Eh | |||
| 8-Jul-2023 | monomer_7 | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -825.712608985; Eh | |||
| 8-Jul-2023 | monomer_3 | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -614.266051963; Eh | |||
| 8-Jul-2023 | monomer_5 | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -555.573874458; Eh |
Results 1-10 of 13 (Search time: 0.001 seconds).