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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Mar-2023 | /uv bodsep_Cl_Mo_monomer_DMF_1_2 | Martins, Frederico | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | /uv bodsep_Cl_Cr_monomer_DMF_-1_2 | Martins, Frederico | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | frq_Cl_Cr_monomer_DMF_0_1 | Martins, Frederico | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | frq_Cl_Cr_monomer_DMF_-1_2 | Martins, Frederico | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | frq_Cl_Os_monomer_DMF_1_2 | Martins, Frederico | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | frq_Cl_Ni_monomer_DMF_-1_0 | Martins, Frederico | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | frq_Cl_Mo_monomer_DMF_1_2 | Martins, Frederico | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | frq_Cr_monomer_DMF_1_3 | Martins, Frederico | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | frq_Cr_monomer_DMF_0_2 | Martins, Frederico | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 29-Mar-2023 | /uv bodsep_Cl_Os_monomer_DMF_-1_0 | Martins, Frederico | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - |
Results 31-40 of 164 (Search time: 0.001 seconds).
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Subject
- 164 Electronic structure
- 164 Ligand effects
- 164 Metalloporphyrins
- 164 Porphyrinoids
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- 164 ADF
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- 164 S12g-x PBEc