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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Jan-2022 | frq_c2-bu4n_0_6_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 30-Jan-2022 | frq_c2-bu4nOX_1_1_inp | Swart, Marcel | ADF; 2019 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 4-Oct-2021 | /dicopper diCu_EaltB_sym_uv | Swart, Marcel | ADF; 2017 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 4-Oct-2021 | /dicopper diCu_EaltC_3_frq | Swart, Marcel | ADF; 2017 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 30-Jan-2022 | opt_c3_0_6_inp | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 30-Jan-2022 | opt_c4_0_1_inp | Swart, Marcel | ADF; 2019; 304 | Geometry optimization Quild | S12g-x PBEc | TZ2P | - | |||
 | 30-Jan-2022 | opt_c4_0_3_inp | Swart, Marcel | ADF; 2019; 304 | Geometry optimization Quild | S12g-x PBEc | TZ2P | - | |||
 | 30-Jan-2022 | opt_c4_0_5_inp | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 4-Oct-2021 | /dicopper diCu_EaltB_sym_opt | Swart, Marcel | ADF; 2017 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 4-Oct-2021 | /dicopper diCu_EaltB_sym_frq | Swart, Marcel | ADF; 2017 | Single point | S12g-x PBEc | TZ2P | - |
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