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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_9_//m06l_molsimps/Ru_3a1_9_ OH//m06l_molsimps/Ru_3a1_9_/OH LS Ru_3a1_9_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1596.1484541; Eh
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 Cr_oct_desorbed_6_//m06l_molsimps/Cr_oct_desorbed_6_ OH//m06l_molsimps/Cr_oct_desorbed_6_/OH HS Cr_oct_desorbed_6_OH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1530.1957389; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Cr_3a1_3_//m06l_molsimps/Cr_3a1_3_ VAC//m06l_molsimps/Cr_3a1_3_/VAC HS Cr_3a1_3_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1494.8168735; Eh
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_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_4_//m06l_molsimps/Ni_31a_4_ OH//m06l_molsimps/Ni_31a_4_/OH LS Ni_31a_4_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1791.2054587; 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 Ni_3a1_28//m06l_molsimps/Ni_3a1_28 OOH//m06l_molsimps/Ni_3a1_28/OOH LS Ni_3a1_28_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1748.4231502; 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
Results 51-60 of 557 (Search time: 0.002 seconds).