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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Feb-2023 | H-Tyros(NO)_complex_(FeC52N7H50O9)_ | Abdo, Amir | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UB3LYP | GENECP | -3196.29743095; Eh | |||
| 26-Feb-2023 | Hemin(NO)_complex_(FeC34N5H32O5)_ | Abdo, Amir | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UB3LYP | GENECP | -2088.80268582; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S18_LS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UB3LYP | DEF2TZVP | -2832.23878577; Eh | |||
| 27-Sep-2021 | SCO_M06L_S2_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UM06L | DEF2TZVP | -4399.59381990; Eh | |||
| 27-Sep-2021 | SCO_M06L_S4_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UM06L | DEF2TZVP | -2718.88790799; Eh | |||
| 27-Sep-2021 | SCO_M06L_S18_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UM06L | DEF2TZVP | -2832.03188724; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S6_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -3114.23741807; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S16_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -2642.55475765; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S16_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -2642.57237271; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S3_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UBLYP | DEF2TZVP | -2852.89971016; Eh |
Results 31-40 of 214 (Search time: 0.002 seconds).