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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_3a1_5_ OH//m06l_molsimps/Co_3a1_5_/OH LS Co_3a1_5_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 | -1613.3843726; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_3_ VAC//m06l_molsimps/Co_3a1_3_/VAC HS Co_3a1_3_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 | -1553.5588337; 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_3a1_27 OOH//m06l_molsimps/Co_3a1_27/OOH LS Co_3a1_27_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 | -1586.596888; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_27 VAC//m06l_molsimps/Co_3a1_27/VAC HS Co_3a1_27_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 | -1435.6504454; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_29 OOH//m06l_molsimps/Co_3a1_29/OOH LS Co_3a1_29_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 | -1570.5884687; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_29 OH//m06l_molsimps/Co_3a1_29/OH LS Co_3a1_29_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 | -1495.4544917; 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 | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_13 OOH//m06l_molsimps/Co_3a1_13/OOH LS Co_3a1_13_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 | -2005.5191621; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_17 OOH//m06l_molsimps/Co_3a1_17/OOH LS Co_3a1_17_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 | -1819.8674913; Eh |
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