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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
13-Jul-2023 | 2-B10Cl9Kr_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -7145.27445953; Eh | ||||
13-Jul-2023 | 2-B10I9Ar_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -3456.99914430; Eh | ||||
13-Jul-2023 | B10Cl10_(2-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -4851.80116278; Eh | ||||
13-Jul-2023 | 1-B10Cl9_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -4391.39736558; Eh | ||||
13-Jul-2023 | B12Cl11_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -5361.83320356; Eh | ||||
13-Jul-2023 | B6I5N2_(-) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -1748.10719560; Eh | ||||
13-Jul-2023 | B6Cl5Xe_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -2780.15076126; Eh | ||||
13-Jul-2023 | B6Br5Ne_(-) | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2QZVPP | -13149.6106699; Eh | ||||
13-Jul-2023 | B10I10_(2-)_to_2-B10I9_(-) | Kawa, Sebastian | Gaussian; 16; AS64L-G16RevC.01 | Geometry optimization TS | RB3LYP | DEF2QZVPP | -3227.27168721; Eh | ||||
13-Jul-2023 | B6Cl5N2_(-)_B3LYP | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RB3LYP | DEF2TZVPP | -2560.23528330; Eh |
Results 11-20 of 122 (Search time: 0.001 seconds).