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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
13-Jul-2023 | B6Cl5N2_(-)_MP2 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RMP2-FC | DEF2TZVPP | -2554.89986241; Eh | ||||
13-Jul-2023 | B6Cl5(H2O)_(-)_MP2 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RMP2-FC | DEF2TZVPP | -2521.99948613; Eh | ||||
13-Jul-2023 | B6Cl5_(-)_MP2 | Kawa, Sebastian | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Structure | RMP2-FC | DEF2TZVPP | -2445.88522427; Eh |
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