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. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 20-Jul-2022 | /DFT/R1=Pr/L2=NCS LS_no_substituted | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -3637.43502644; Eh | |||
![]() | 20-Jul-2022 | /DFT/R1=Me/L2=NCS LS_no_substituted | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -3558.78542505; Eh | |||
![]() | 20-Jul-2022 | /DFT/R1=Bu/L2=NCS LS_no_substituted | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -3676.76394107; Eh | |||
![]() | 20-Jul-2022 | /DFT/R1=Me/L2=NCS HS_no_substituted | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -3558.76873033; Eh | |||
![]() | 20-Jul-2022 | /DFT/R1=H/L2=NCS LS_no_substituted | Navarro, Laia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -3519.46324565; Eh |
Results 131-135 of 135 (Search time: 0.001 seconds).
Discover
Calculation type