Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Nov-2022 | /Endo_Ns TS-17 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3047.3387855; Eh | |||
 | 22-Nov-2022 | /Endo_Ns 3a-Ns | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3047.3771472; Eh | |||
 | 22-Nov-2022 | /Endo_Ns TS-21 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3047.8309501; Eh | |||
 | 22-Nov-2022 | /Endo_Ns TS-25 | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3047.9350153; Eh | |||
 | 22-Nov-2022 | /Endo_Ns 6a(+)-Ns | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -3047.8559042; Eh | |||
 | 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 | /Benchmarking_for_Open_System 4a(-)_open_tpssh_I | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -2953.987258; Eh | |||
 | 22-Nov-2022 | /Benchmarking_for_Open_System 4a_open_tpssh_I | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UTPSSh | DEF2SVP DEF2TZVP/GEN | -2953.8948011; 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 |
Results 1391-1400 of 1400 (Search time: 0.003 seconds).