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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//m06l_molsimps Fe_31a_4_//m06l_molsimps/Fe_31a_4_ OOH//m06l_molsimps/Fe_31a_4_/OOH LS Fe_31a_4_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1820.5070197; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Mn_oct_desorbed_5_//m06l_molsimps/Mn_oct_desorbed_5_ VAC Mn_pbp_5_VAC_HSbm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1625.607227; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_31a_19//m06l_molsimps/Ni_31a_19 OOH//m06l_molsimps/Ni_31a_19/OOH LS Ni_31a_19_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1839.3787149; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_31a_28//m06l_molsimps/Ni_31a_28 OOH//m06l_molsimps/Ni_31a_28/OOH LS Ni_31a_28_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1748.4254897; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_31a_20//m06l_molsimps/Ni_31a_20 VAC//m06l_molsimps/Ni_31a_20/VAC HS Ni_31a_20_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1672.4643105; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_31a_19//m06l_molsimps/Ni_31a_19 VAC//m06l_molsimps/Ni_31a_19/VAC HS Ni_31a_19_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1688.4751687; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_31a_28//m06l_molsimps/Ni_31a_28 VAC//m06l_molsimps/Ni_31a_28/VAC HS Ni_31a_28_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1597.4919525; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_31a_20//m06l_molsimps/Ni_31a_20 OH//m06l_molsimps/Ni_31a_20/OH LS Ni_31a_20_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1748.2556978; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_31a_19//m06l_molsimps/Ni_31a_19 OH//m06l_molsimps/Ni_31a_19/OH LS Ni_31a_19_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1764.2681139; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_31a_28//m06l_molsimps/Ni_31a_28 OH//m06l_molsimps/Ni_31a_28/OH LS Ni_31a_28_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1673.287697; Eh
Results 551-560 of 635 (Search time: 0.003 seconds).