Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
8-Jul-2023 | monomer_1 | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -429.631050490; 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_7 | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -825.712608985; Eh | ||||
8-Jul-2023 | monomer_10 | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -554.268503230; 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_9 | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -1334.84624905; Eh | ||||
8-Jul-2023 | monomer_8 | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -712.691068867; Eh | ||||
8-Jul-2023 | monomer_6 | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -594.849410367; Eh | ||||
8-Jul-2023 | ethylene | Barroso, Jorge | Gaussian; 16; EM64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | DEF2TZVP | -78.5126886880; 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: 0.002 seconds).