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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Jul-2022 | /DFT/R1=OiPr/L2=NCS LS_no_substituted | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -3712.67151226; Eh | |||
| 20-Jul-2022 | /DFT/R1=OBu/L2=NCS HS_no_substituted | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -3751.99745592; Eh | |||
| 20-Jul-2022 | /DFT/R1=OtBu/L2=NCS LS_no_substituted | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -3751.99244130; 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_tpssh_II | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UTPSSh | DEF2TZVP | -2953.987258; 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 Fc(+)_tpssh_II | Luthra, Mahika | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UTPSSh | DEF2TZVP | -1650.8971782; Eh |
Results 691-697 of 697 (Search time: 0.002 seconds).