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. |
---|---|---|---|---|---|---|---|---|---|---|---|
27-Sep-2021 | SCO_TPSSh_S2_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -4399.96633641; Eh | ||||
27-Sep-2021 | SCO_TPSSh_S1_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -3158.45237391; Eh | ||||
27-Sep-2021 | SCO_TPSSh_S1_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -3158.43695614; Eh | ||||
27-Sep-2021 | SCO_TPSSh_S7_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -5117.47954860; Eh | ||||
27-Sep-2021 | SCO_TPSSh_S7_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -5117.49938039; Eh | ||||
27-Sep-2021 | SCO_TPSSh_S10_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2719.19680050; Eh | ||||
27-Sep-2021 | SCO_TPSSh_S9_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -3114.62355023; Eh | ||||
27-Sep-2021 | SCO_TPSSh_S9_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -3114.60707968; Eh | ||||
27-Sep-2021 | SCO_TPSSh_S10_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2719.21510846; Eh | ||||
27-Sep-2021 | SCO_TPSSh_S8_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2791.25755719; Eh |
Results 1-10 of 32 (Search time: 0.001 seconds).
Discover
Subject
Program name
- 32 Gaussian