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_OLYP_S11_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -8014.64392864; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S11_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -8014.64549109; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S9_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -3114.22264484; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S10_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -2718.79841881; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S13_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -2673.10288902; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S13_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -2673.09686526; Eh | |||
 | 12-May-2022 | PMe3-opt-benzene-nmr | Peñas-Defrutos, Marconi N. | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2620.5225172; Eh | |||
| 27-Sep-2021 | SCO_M06L_S18_HS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2832.00311980; Eh | |||
| 27-Sep-2021 | SCO_M06L_S18_LS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2831.98642819; Eh | |||
| 27-Sep-2021 | SCO_M06L_S17_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2444.38558966; Eh |
Results 41-50 of 221 (Search time: 0.002 seconds).
Discover
Subject
Program name
- 221 Gaussian