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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Dec-2023 | B12I10SCN_1S-e3_2NC | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3768.23260862; Eh | |||
 | 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_1S-e3_2CN | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -3768.24509713; Eh | |||
 | 13-Dec-2023 | B12I10SCN+I | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | RB3LYP | DEF2TZVPP | -4066.05809474; Eh | |||
 | 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 |
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- 38 Boron
- 38 Ion soft-landing