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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
13-Jul-2023 | 1-B10Cl9_to_2-B10Cl9_ | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | DEF2QZVPP | -4391.39150089; Eh | ||||
13-Jul-2023 | 2-B10I9(OC)_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -3042.81765062; Eh | ||||
13-Jul-2023 | 2-B10Cl9He_(-) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -4394.33475188; Eh | ||||
13-Jul-2023 | 2-B10I9N2_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -3039.05656139; Eh | ||||
13-Jul-2023 | 1-B10I9Xe_(-) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -3258.91142605; Eh | ||||
13-Jul-2023 | 1-B10Br9(CO)_to_2-B10Br9(CO) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RB3LYP | DEF2QZVPP | -23530.7725527; Eh | ||||
13-Jul-2023 | 2-B10Br9(OC)_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -23530.7471759; Eh | ||||
13-Jul-2023 | 1-B10Cl9(CO)_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -4504.88739204; Eh | ||||
13-Jul-2023 | 2-B10Br9Xe_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -23746.8440228; Eh | ||||
13-Jul-2023 | 2-B10Br9_(-)_ | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -23417.3550838; Eh |
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