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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_Nm 8a | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.0546123; Eh | |||
 | 22-Nov-2022 | /Endo_Nm 11a(-) | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3235.5508216; Eh | |||
 | 22-Nov-2022 | /Open_system_calculations 11a(-)-open | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3142.0752722; Eh | |||
 | 22-Nov-2022 | /Open_system_calculations 6a(+)-open | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -2954.383223; Eh | |||
 | 22-Nov-2022 | /Endo_Nm 8a(-) | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.141433; Eh | |||
 | 22-Nov-2022 | /Endo_Nm TS-11 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.1437752; 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 | /Open_system_calculations TS-37 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3595.5576784; Eh | |||
 | 22-Nov-2022 | /Endo_Nm TS-10 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3236.509125; 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 71-80 of 99 (Search time: 0.002 seconds).