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_S12_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -4077.69180373; Eh | ||||
27-Sep-2021 | SCO_TPSSh_S11_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -8013.44778321; Eh | ||||
27-Sep-2021 | SCO_TPSSh_S11_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -8013.42650283; 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_S8_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2791.27457504; 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_OPBE_S12_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -4077.22228092; Eh | ||||
27-Sep-2021 | SCO_OPBE_S11_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -8014.47398056; Eh |
Results 201-210 of 240 (Search time: 0.001 seconds).
Discover
Program name
- 240 Gaussian
Calculation type