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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Nov-2022 | /Benchmarking_for_Open_System 4a(-)_open_b3lyp_I | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | DEF2SVP DEF2TZVP/GEN | -2953.8792277; Eh | |||
 | 22-Nov-2022 | /Benchmarking_for_Open_System 4a(-)_open_b3lyp_II | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | DEF2TZVP | -2953.8792277; Eh | |||
 | 22-Nov-2022 | /Benchmarking_for_Open_System Fc(+)_b3lyp_I | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3LYP | DEF2SVP DEF2TZVP/GEN | -1650.8620472; Eh |
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