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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_B3LYPSTAR_S18_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UBLYP | DEF2TZVP | -2819.06653376; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S7_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOPBE | DEF2TZVP | -5117.69303147; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S5_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOPBE | DEF2TZVP | -2708.55571288; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S4_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOPBE | DEF2TZVP | -2718.65948621; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S7_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOPBE | DEF2TZVP | -5117.69640781; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S18_LS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOPBE | DEF2TZVP | -2831.69487096; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S2_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOLYP | DEF2TZVP | -4399.69693365; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S5_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOLYP | DEF2TZVP | -2708.74404772; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S10_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOLYP | DEF2TZVP | -2718.79347243; Eh | |||
| 27-Sep-2021 | SCO_SO_HighSpin_3_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UBLYP | DEF2TZVP | -2803.71769118; Eh |
Results 21-30 of 33 (Search time: 0.002 seconds).