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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Sep-2021 | SCO_OPBE_S9_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -3114.01571050; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S8_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -2790.67634017; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S9_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -3114.01546366; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S8_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -2790.67639248; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S10_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -2718.64579212; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S10_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -2718.64488782; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S14_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -3460.85583680; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S15_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -2902.17051540; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S15_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOLYP | DEF2TZVP | -2902.16416208; Eh | |||
| 27-Sep-2021 | SCO_SO_HighSpin_2_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3237.96933813; Eh |
Results 181-190 of 204 (Search time: 0.002 seconds).