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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_2_ VAC//m06l_molsimps/Co_3a1_2_/VAC HS Co_3a1_2_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 | -1707.1889843; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_3_ OH//m06l_molsimps/Co_3a1_3_/OH LS Co_3a1_3_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 | -1629.3942338; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_22 VAC//m06l_molsimps/Co_3a1_22/VAC HS Co_3a1_22_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 | -1632.2188953; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_24 VAC//m06l_molsimps/Co_3a1_24/VAC HS Co_3a1_24_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 | -1324.957215; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_24 OOH//m06l_molsimps/Co_3a1_24/OOH LS Co_3a1_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 | -1475.9208279; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_24 OH//m06l_molsimps/Co_3a1_24/OH LS Co_3a1_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 | -1400.7895493; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_10 VAC//m06l_molsimps/Co_3a1_10/VAC HS Co_3a1_10_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 | -1709.1604937; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_10 OOH//m06l_molsimps/Co_3a1_10/OOH LS Co_3a1_10_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 | -1860.1141221; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_10 OH//m06l_molsimps/Co_3a1_10/OH LS Co_3a1_10_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 | -1784.9810393; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_32a_35 VAC//m06l_molsimps/Co_32a_35/VAC HS Co_32a_35_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 | -1296.9021026; Eh |
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