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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 Fc(+)_tpss_II | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UTPSSTPSS | DEF2TZVP | -1651.0031583; Eh | ||||
22-Nov-2022 | /Benchmarking_for_Open_System Fc_tpssh_II | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UTPSSh | DEF2TZVP | -1651.0841395; Eh | ||||
22-Nov-2022 | /Benchmarking_for_Open_System 4a_open_b3lyp_II | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP | DEF2TZVP | -2953.7872478; Eh | ||||
22-Nov-2022 | /Benchmarking_for_Open_System Fc_tpss_II | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RTPSSTPSS | DEF2TZVP | -1651.1692858; Eh | ||||
22-Nov-2022 | /Benchmarking_for_Open_System Fc(+)_b3lyp_II | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP | DEF2TZVP | -2953.7872478; Eh | ||||
22-Nov-2022 | /Benchmarking_for_Open_System 4a_open_tpss_II | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RTPSSTPSS | DEF2TZVP | -2954.1462372; Eh | ||||
22-Nov-2022 | /Benchmarking_for_Open_System 4a_open_tpssh_II | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UTPSSh | DEF2TZVP | -2953.8945899; 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 4a(-)_open_tpss_II | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UTPSSTPSS | DEF2TZVP | -2954.2403492; Eh | ||||
22-Nov-2022 | /Benchmarking_for_Open_System 4a(-)_open_tpssh_II | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UTPSSh | DEF2TZVP | -2953.987258; Eh |
Results 1-10 of 11 (Search time: 0.001 seconds).