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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Nov-2022 | /Endo_Ns 6a-Ns | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3047.948894; Eh | |||
 | 22-Nov-2022 | /Open_system_calculations 2a(-)-open | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -2953.4067931; Eh | |||
 | 22-Nov-2022 | /Endo_Ns TS-24 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3689.1312387; Eh | |||
 | 22-Nov-2022 | /Endo_Nm TS-12 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3689.1328866; Eh | |||
 | 22-Nov-2022 | /Endo_Nm 6a-Nm | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3047.9558087; Eh | |||
 | 22-Nov-2022 | /Endo_Nm TS-15 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3047.9381505; Eh | |||
 | 22-Nov-2022 | /Endo_Nm 4a(-) | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3047.4754135; Eh | |||
 | 22-Nov-2022 | /Benchmarking_for_Open_System Fc_tpssh_I | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -1651.0841395; Eh | |||
 | 22-Nov-2022 | /Benchmarking_for_Open_System Fc(+)_tpssh_I | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP | -1650.89717823; Eh |
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