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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_26 VAC//m06l_molsimps/Co_3a1_26/VAC HS Co_3a1_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 | -1589.2705395; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_26 OH//m06l_molsimps/Co_3a1_26/OH LS Co_3a1_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 | -1665.0950839; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_27 OH//m06l_molsimps/Co_3a1_27/OH LS Co_3a1_27_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 | -1511.4650463; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_3_ OOH//m06l_molsimps/Co_31a_3_/OOH LS Co_31a_3_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 | -1704.522895; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_5_ OOH//m06l_molsimps/Co_31a_5_/OOH LS Co_31a_5_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 | -1688.5156102; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_3_ OH//m06l_molsimps/Co_31a_3_/OH LS Co_31a_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 | -1629.3926118; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_3_ VAC//m06l_molsimps/Co_31a_3_/VAC HS Co_31a_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 | -1553.5590483; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_5_ OH//m06l_molsimps/Co_31a_5_/OH LS Co_31a_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 | -1613.381156; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_24 VAC//m06l_molsimps/Co_31a_24/VAC HS Co_31a_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 | -1324.9700829; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_26 OOH//m06l_molsimps/Co_31a_26/OOH LS Co_31a_26_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 | -1740.233213; Eh |
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