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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Sep-2020 | DSiBOD_CH2Cl2 | Masip, Albert | ADF; 2017 | Single point | B3LYP | TZ2P | - | |||
 | 29-Sep-2020 | DSiBOD_MeCN | Masip, Albert | ADF; 2017 | Single point | B3LYP | TZ2P | - | |||
 | 29-Sep-2020 | DSiBOD_DMF | Masip, Albert | ADF; 2017 | Single point | B3LYP | TZ2P | - | |||
 | 29-Sep-2020 | KSiBOD_CH2Cl2 | Masip, Albert | ADF; 2017 | Single point | BP86 | TZP | - | |||
 | 29-Sep-2020 | KSiBOD_MeCN | Masip, Albert | ADF; 2017 | Single point | BP86 | TZP | - | |||
 | 29-Sep-2020 | TEA | Masip, Albert | ADF; 2017 | Geometry optimization | BP86 | TZ2P | -5.48365514; Eh | |||
 | 29-Sep-2020 | TMA | Masip, Albert | ADF; 2017 | Geometry optimization | BP86 | TZ2P | -3.07820177; Eh | |||
 | 29-Sep-2020 | TBA | Masip, Albert | ADF; 2017 | Geometry optimization | BP86 | TZ2P | -10.29566200; Eh | |||
 | 9-Jun-2025 | v10-2e-M0 | Masip, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D,P) GEN | -2822.52533546; Eh | |||
 | 9-Jun-2025 | v10-2e-M2 | Masip, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UB3LYP | LANL2DZ 6-31G(D,P) GEN | -2822.55292997; Eh |
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