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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_19//m06l_molsimps/Ru_31a_19 OOH//m06l_molsimps/Ru_31a_19/OOH LS Ru_31a_19_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1763.9921319; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_19//m06l_molsimps/Ru_31a_19 VAC//m06l_molsimps/Ru_31a_19/VAC LS Ru_31a_19_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1613.041298; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_31a_4_//m06l_molsimps/Ni_31a_4_ VAC//m06l_molsimps/Ni_31a_4_/VAC HS Ni_31a_4_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1715.4162596; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_31a_30//m06l_molsimps/Ni_31a_30 OOH//m06l_molsimps/Ni_31a_30/OOH LS Ni_31a_30_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1441.1622615; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_3a1_28//m06l_molsimps/Ni_3a1_28 OH//m06l_molsimps/Ni_3a1_28/OH LS Ni_3a1_28_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1673.2865907; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Cr_oct_desorbed_5_//m06l_molsimps/Cr_oct_desorbed_5_ OOH//m06l_molsimps/Cr_oct_desorbed_5_/OOH HS Cr_oct_desorbed_5_OOH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1758.9519461; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Mn_3a1_26//m06l_molsimps/Mn_3a1_26 OH//m06l_molsimps/Mn_3a1_26/OH HS Mn_3a1_26_OH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1623.976974; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_14//m06l_molsimps/Ru_31a_14 VAC//m06l_molsimps/Ru_31a_14/VAC LS Ru_31a_14_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1787.3284347; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Fe_31a_12//m06l_molsimps/Fe_31a_12 VAC//m06l_molsimps/Fe_31a_12/VAC HS Fe_31a_12_VAC_HS-continuem06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1380.2710034; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Fe_oct_desorbed_2_//m06l_molsimps/Fe_oct_desorbed_2_ OOH//m06l_molsimps/Fe_oct_desorbed_2_/OOH HS Fe_oct_desorbed_2_OOH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1965.6995501; Eh
Results 71-80 of 565 (Search time: 0.003 seconds).