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_B3LYPSTAR_S2_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -4399.40110196; Eh | ||||
27-Sep-2021 | SCO_B3LYPSTAR_S1_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3145.97752295; Eh | ||||
27-Sep-2021 | SCO_B3LYPSTAR_S5_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2696.81288604; Eh | ||||
27-Sep-2021 | SCO_B3LYPSTAR_S5_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2696.82123762; Eh | ||||
27-Sep-2021 | SCO_B3LYPSTAR_S4_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2706.66864763; Eh | ||||
27-Sep-2021 | SCO_B3LYPSTAR_S3_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2852.88717034; Eh | ||||
27-Sep-2021 | SCO_B3LYPSTAR_S4_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2706.67695308; Eh | ||||
27-Sep-2021 | SCO_B3LYPSTAR_S3_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UBLYP | DEF2TZVP | -2852.89971016; Eh | ||||
27-Sep-2021 | SCO_B3LYPSTAR_S1_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3145.97127236; Eh | ||||
27-Sep-2021 | SCO_B3LYPSTAR_S18_LS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2819.02875522; Eh |
Results 81-90 of 104 (Search time: 0.001 seconds).
Discover
Subject