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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//m06l_molsimps Mn_3a1_20//m06l_molsimps/Mn_3a1_20 OOH//m06l_molsimps/Mn_3a1_20/OOH HS Mn_3a1_20_OOH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1758.0663531; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Mn_3a1_20//m06l_molsimps/Mn_3a1_20 VAC//m06l_molsimps/Mn_3a1_20/VAC HS Mn_3a1_20_VAC_HSbm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1607.1180643; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_29//m06l_molsimps/Ru_3a1_29 OH//m06l_molsimps/Ru_3a1_29/OH LS Ru_3a1_29_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1444.2422439; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_12//m06l_molsimps/Ru_31a_12 VAC//m06l_molsimps/Ru_31a_12/VAC LS Ru_31a_12_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1350.6639954; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_23//m06l_molsimps/Ru_31a_23 VAC//m06l_molsimps/Ru_31a_23/VAC LS Ru_31a_23_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1427.3770252; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_23//m06l_molsimps/Ru_31a_23 OOH//m06l_molsimps/Ru_31a_23/OOH LS Ru_31a_23_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1578.3368351; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_12//m06l_molsimps/Ru_31a_12 OOH//m06l_molsimps/Ru_31a_12/OOH LS Ru_31a_12_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1501.6406; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_23//m06l_molsimps/Ru_31a_23 OH//m06l_molsimps/Ru_31a_23/OH LS Ru_31a_23_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1503.2030611; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_12//m06l_molsimps/Ru_31a_12 OH//m06l_molsimps/Ru_31a_12/OH LS Ru_31a_12_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1426.5041325; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Mn_3a1_28//m06l_molsimps/Mn_3a1_28 OOH//m06l_molsimps/Mn_3a1_28/OOH HS Mn_3a1_28_OOH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1683.0978155; Eh
Results 571-580 of 596 (Search time: 0.002 seconds).