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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//m06l_molsimps Mn_31a_26//m06l_molsimps/Mn_31a_26 VAC//m06l_molsimps/Mn_31a_26/VAC HS Mn_31a_26_VAC_HSbm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1548.1582548; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_31a_30//m06l_molsimps/Ni_31a_30 VAC//m06l_molsimps/Ni_31a_30/VAC HS Ni_31a_30_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1290.2298048; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_31a_30//m06l_molsimps/Ni_31a_30 OH//m06l_molsimps/Ni_31a_30/OH LS Ni_31a_30_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1366.0250816; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_30//m06l_molsimps/Ru_31a_30 OOH//m06l_molsimps/Ru_31a_30/OOH LS Ru_31a_30_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1365.7358489; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_30//m06l_molsimps/Ru_31a_30 VAC//m06l_molsimps/Ru_31a_30/VAC LS Ru_31a_30_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1214.7724055; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Mn_3a1_26//m06l_molsimps/Mn_3a1_26 OOH//m06l_molsimps/Mn_3a1_26/OOH HS Mn_3a1_26_OOH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1699.1067262; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_14//m06l_molsimps/Ru_31a_14 OH//m06l_molsimps/Ru_31a_14/OH LS Ru_31a_14_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1863.1625121; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Fe_31a_12//m06l_molsimps/Fe_31a_12 OH//m06l_molsimps/Fe_31a_12/OH LS Fe_31a_12_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1456.0847771; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_29//m06l_molsimps/Ru_3a1_29 OOH//m06l_molsimps/Ru_3a1_29/OOH LS Ru_3a1_29_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1519.3719543; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Mn_3a1_28//m06l_molsimps/Mn_3a1_28 VAC//m06l_molsimps/Mn_3a1_28/VAC HS Mn_3a1_28_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1532.1493054; Eh
Results 51-60 of 565 (Search time: 0.002 seconds).