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_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_S6_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -3114.21836333; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S5_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2709.08460125; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S5_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2709.10197098; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S8_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2791.25755719; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S4_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2719.21273828; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S18_HS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2832.32771957; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S18_LS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2832.33430018; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S17_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2444.66395197; Eh |
Results 91-100 of 109 (Search time: 0.002 seconds).
Discover
Subject
Program name
- 109 Gaussian