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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_24 OOH//m06l_molsimps/Co_31a_24/OOH LS Co_31a_24_OOH_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 | -1475.9251121; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_23 VAC//m06l_molsimps/Co_31a_23/VAC HS Co_31a_23_VAC_HSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1478.5937725; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_26 VAC//m06l_molsimps/Co_31a_26/VAC HS Co_31a_26_VAC_HSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1589.2702956; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_26 OH//m06l_molsimps/Co_31a_26/OH LS Co_31a_26_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 | -1665.0978592; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_24 OH//m06l_molsimps/Co_31a_24/OH LS Co_31a_24_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 | -1400.7895494; Eh | |||
 | 27-Sep-2021 | SCO_M06L_S1_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -3158.15782104; Eh | |||
| 27-Sep-2021 | SCO_M06L_S2_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -4399.59704135; Eh | |||
| 27-Sep-2021 | SCO_M06L_S1_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -3158.14629543; Eh | |||
 | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M88 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06L | GEN | -1133.12287032; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_30 VAC//m06l_molsimps/Co_31a_30/VAC HS Co_31a_30_VAC_HSbm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1266.0125239; Eh |
Results 551-560 of 665 (Search time: 0.002 seconds).