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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//m06l_molsimps Cr_oct_desorbed_6_ Cr_pbp_6_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1454.3368364; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_31a_24//m06l_molsimps/Ni_31a_24 OOH//m06l_molsimps/Ni_31a_24/OOH LS Ni_31a_24_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1500.1168121; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_3a1_28//m06l_molsimps/Ni_3a1_28 VAC//m06l_molsimps/Ni_3a1_28/VAC HS Ni_3a1_28_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1597.4864679; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Cr_3a1_23//m06l_molsimps/Cr_3a1_23 OOH//m06l_molsimps/Cr_3a1_23/OOH HS Cr_3a1_23_OOH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1570.8346643; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Cr_3a1_23//m06l_molsimps/Cr_3a1_23 VAC//m06l_molsimps/Cr_3a1_23/VAC HS Cr_3a1_23_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1419.8339881; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_30//m06l_molsimps/Ru_31a_30 OH//m06l_molsimps/Ru_31a_30/OH LS Ru_31a_30_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1290.6062321; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Cr_oct_desorbed_5_//m06l_molsimps/Cr_oct_desorbed_5_ OH//m06l_molsimps/Cr_oct_desorbed_5_/OH HS Cr_oct_desorbed_5_OH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1683.8217699; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_14//m06l_molsimps/Ru_31a_14 OOH//m06l_molsimps/Ru_31a_14/OOH LS Ru_31a_14_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1938.2966334; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Fe_oct_desorbed_2_ Fe_pbp_2_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1814.748364; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_2_//m06l_molsimps/Ru_3a1_2_ VAC//m06l_molsimps/Ru_3a1_2_/VAC LS Ru_3a1_2_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1655.9945006; Eh
Results 101-110 of 565 (Search time: 0.002 seconds).