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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Jan-2024 | /EMACs/closed-shell mo2_ni | Bro-Jørgensen, William | Siesta; 5.0.0-alpha-47-g7a406a0ec-dirty | Single point | GGAPBE | - | - | - | - | - |
 | 3-Jan-2024 | /EMACs/closed-shell mo2_fe | Bro-Jørgensen, William | Siesta; 5.0.0-alpha-47-g7a406a0ec-dirty | Single point | GGAPBE | - | - | - | - | - |
 | 3-Jan-2024 | /EMACs/spin-polarized mo3_npo | Bro-Jørgensen, William | Siesta; 5.0.0-alpha-47-g7a406a0ec-dirty | Single point | GGAPBE | - | - | - | - | - |
 | 3-Jan-2024 | /EMACs/spin-polarized ni5_pyr | Bro-Jørgensen, William | Siesta; 5.0.0-alpha-47-g7a406a0ec-dirty | Single point | GGAPBE | - | - | - | - | - |
 | 3-Jan-2024 | /EMACs/spin-polarized cu4 | Bro-Jørgensen, William | Siesta; 5.0.0-alpha-47-g7a406a0ec-dirty | Single point | GGAPBE | - | - | - | - | - |
 | 3-Jan-2024 | /EMACs/closed-shell cu4 | Bro-Jørgensen, William | Siesta; 5.0.0-alpha-47-g7a406a0ec-dirty | Single point | GGAPBE | - | - | - | - | - |
 | 26-Jun-2024 | /gaussian_without_au/single_point_energy A_Stilb_cis | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RM052X | DEF2TZVP | -2646.53555761; Eh | |||
 | 26-Jun-2024 | /gaussian_without_au C_Stilb | Bro-Jørgensen, William | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBE1PBE | 6-31G(D) | -2757.83737508; Eh | |||
 | 3-Jan-2024 | /EMACs/spin-polarized mo2_co | Bro-Jørgensen, William | Siesta; 5.0.0-alpha-73-ga645added | Geometry optimization | GGAPBE | - | - | - | - | - |
 | 3-Jan-2024 | /EMACs/spin-polarized mo2_ni | Bro-Jørgensen, William | Siesta; 5.0.0-alpha-47-g7a406a0ec-dirty | Single point | GGAPBE | - | - | - | - | - |
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