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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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 | B12I11-C2H7N_TS_+142_+248 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | RB3LYP | DEF2TZVPP | -3710.16963158; Eh | |||
 | 13-Dec-2023 | B12I11-C2H7N_TS_+0_+177 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | RB3LYP | DEF2TZVPP | -3710.19885264; Eh | |||
 | 13-Dec-2023 | B12I11-C2H7N_+177 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3710.20445031; Eh | |||
 | 13-Dec-2023 | B12I11-C2H7N_+248 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3710.17325638; Eh | |||
 | 13-Dec-2023 | B12I11-C2H7N_+142 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3710.22303608; Eh | |||
 | 13-Dec-2023 | B12I11-C2H7N_+000 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3710.28251963; Eh | |||
 | 13-Dec-2023 | B12I11_C2H6S_+388 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -4052.95467848; Eh | |||
 | 13-Dec-2023 | B12I10SCN_N2_1- | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3877.84489597; Eh | |||
 | 13-Dec-2023 | B12I11_N2_1- | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3684.55047974; Eh |
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