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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Sep-2021 | SCO_M06L_S14_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | GENECP | -3460.69251189; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_41a_2_ OH//m06l_molsimps/Co_41a_2_/OH LS//m06l_molsimps/Co_41a_2_/OH/LS back Co_41a_2_OH_LS-b_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 | -1611.2524456; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_41a_2_ OOH//m06l_molsimps/Co_41a_2_/OOH LS Co_41a_2_OOH_LS-cartesianm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1686.3861274; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_41a_1_ OOH//m06l_molsimps/Co_41a_1_/OOH LS Co_41a_1_OOH_LS-fromb4m06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1702.3974706; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_9_ OOH//m06l_molsimps/Co_3a1_9_/OOH LS Co_3a1_9_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 | -1722.4963193; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_9_ VAC//m06l_molsimps/Co_3a1_9_/VAC HS Co_3a1_9_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 | -1571.5484299; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_9_ OH//m06l_molsimps/Co_3a1_9_/OH LS Co_3a1_9_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 | -1647.3589722; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_41a_1_ VAC//m06l_molsimps/Co_41a_1_/VAC HS Co_41a_1_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 | -1551.4312315; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_26 OOH//m06l_molsimps/Co_3a1_26/OOH LS Co_3a1_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 | -1740.2278657; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_25 VAC//m06l_molsimps/Co_3a1_25/VAC HS Co_3a1_25_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 | -1605.2805471; Eh |
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