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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_17 OH//m06l_molsimps/Co_31a_17/OH LS Co_31a_17_OH_LSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1744.7361521; Eh | |||
 | 27-Sep-2021 | SCO_M06L_S7_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -5117.15966720; Eh | |||
| 27-Sep-2021 | SCO_M06L_S7_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -5117.14825482; Eh | |||
| 27-Sep-2021 | SCO_M06L_S9_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -3114.28870816; Eh | |||
| 27-Sep-2021 | SCO_M06L_S9_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -3114.27446960; Eh | |||
| 27-Sep-2021 | SCO_M06L_S6_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UM06L | DEF2TZVP | -3113.87696917; Eh | |||
| 27-Sep-2021 | SCO_M06L_S10_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2718.86464780; Eh | |||
| 27-Sep-2021 | SCO_M06L_S8_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2790.92834185; Eh | |||
| 27-Sep-2021 | SCO_M06L_S8_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2790.94233780; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_13 VAC//m06l_molsimps/Co_3a1_13/VAC HS//m06l_molsimps/Co_3a1_13/VAC/HS forw Co_3a1_13_VAC_HS-f_3e-1m06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1854.5584013; Eh |
Results 611-620 of 665 (Search time: 0.002 seconds).