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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Dec-2023 | B12I8SCN_123S-4CN | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3172.52623298; Eh | |||
 | 13-Dec-2023 | B12I10SCN-1_2-SCN | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3768.24016693; 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-_NPA | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RB3LYP | DEF2TZVPP | -3574.9187152; Eh | |||
 | 13-Dec-2023 | B12I9_1-_NPA | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | RB3LYP | DEF2TZVPP | -2979.1526775; 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 |
Results 31-40 of 56 (Search time: 0.001 seconds).