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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Dec-2023 | B12I11H_H | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3576.15549677; Eh | |||
 | 13-Dec-2023 | B12I8SCN_12S-3CN-4X | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3172.47992850; Eh | |||
 | 13-Dec-2023 | B12I8SCN_123S-4NC | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3172.51321310; Eh | |||
 | 13-Dec-2023 | B12I8SCN_123S-5CN | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3172.52711067; Eh | |||
 | 15-Feb-2024 | B12I11_C8H7SO3_H_isomer4 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4508.80782477; Eh | |||
 | 13-Dec-2023 | B12I8SCN_1-_NPA | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RB3LYP | DEF2TZVPP | -3172.5253426; Eh | |||
 | 13-Dec-2023 | B12I10_2- | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3277.06894090; Eh | |||
 | 13-Dec-2023 | B12I11_1- | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3574.91871522; Eh | |||
 | 13-Dec-2023 | B12I11_1-_NPA | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RB3LYP | DEF2TZVPP | -3574.9187152; Eh | |||
 | 13-Dec-2023 | B12I9_1- | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -2979.15267746; Eh |
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