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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 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 | |||
 | 17-May-2024 | /thermal/Fe3Mn2/cc1 cc1-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10490.0359652; Eh | |||
| 17-May-2024 | /thermal/Fe4Mn1/a3 a3-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10602.710446; Eh | |||
| 17-May-2024 | /thermal/Fe3Mn2/cc2 cc2-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10490.0474089; Eh | |||
| 17-May-2024 | /thermal/Fe4Mn1/a2 a2-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10602.6845832; Eh | |||
| 17-May-2024 | /thermal/Fe4Mn1/a1 a1-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10602.7202536; Eh | |||
| 17-May-2024 | /thermal/Fe1Mn4/a2 a2-tpssh | Phung, Quan | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | UTPSSh | DEF2TZVP | -10264.5900356; Eh |
Results 2161-2170 of 2340 (Search time: 0.003 seconds).