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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Nov-2023 | /au B2 | Bro-Jørgensen, William | Siesta; 5.0.0-alpha-76-gf0a1dd915-dirty | Geometry optimization | GGAPBE | - | - | - | - | - |
 | 18-Nov-2023 | /gas_phase D4 | Bro-Jørgensen, William | Siesta; 5.0.0-alpha-76-gf0a1dd915 | Geometry optimization | GGAPBE | - | - | - | - | - |
 | 27-Apr-2023 | Fe-7aGNR | Leitherer, Susanne | Siesta; 5.0.0-alpha-66-gf9a5d6fbe-dirty | Single point | GGAPBE | - | - | - | - | - |
 | 27-Apr-2023 | Co-aGNR | Leitherer, Susanne | Siesta; 5.0.0-alpha-66-gf9a5d6fbe-dirty | Single point | GGAPBE | - | - | - | - | - |
 | 27-Apr-2023 | ScC6H6 | Leitherer, Susanne | Siesta; 5.0.0-alpha-66-gf9a5d6fbe-dirty | Single point | GGAPBE | - | - | - | - | - |
 | 17-Jan-2023 | heptane | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBEPBE | 6-311G(D,P) | -386.653587654; Eh | |||
 | 3-Jan-2024 | /Metallapolyynes fe_2yne_dpme | Bro-Jørgensen, William | Siesta; 5.0.0-alpha-73-ga645added | Single point | GGAPBE | - | - | - | - | - |
 | 3-Jan-2024 | /Metallapolyynes ru_1yne_dmpe | Bro-Jørgensen, William | Siesta; 5.0.0-alpha-73-ga645added | Single point | GGAPBE | - | - | - | - | - |
 | 18-Nov-2023 | /au A3 | Bro-Jørgensen, William | Siesta; 5.0.0-alpha-76-gf0a1dd915-dirty | Geometry optimization | GGAPBE | - | - | - | - | - |
 | 3-Jan-2024 | /Metallapolyynes ru_1yne_only_me | Bro-Jørgensen, William | Siesta; 5.0.0-alpha-73-ga645added | Single point | GGAPBE | - | - | - | - | - |
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