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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_14//m06l_molsimps/Ru_3a1_14 OOH//m06l_molsimps/Ru_3a1_14/OOH LS Ru_3a1_14_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1938.3001181; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Cr_3a1_9_//m06l_molsimps/Cr_3a1_9_ OOH//m06l_molsimps/Cr_3a1_9_/OOH HS Cr_3a1_9_OOH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1663.7875259; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_31a_13//m06l_molsimps/Ni_31a_13 VAC//m06l_molsimps/Ni_31a_13/VAC HS Ni_31a_13_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1878.7862858; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Cr_32a_31//m06l_molsimps/Cr_32a_31 OH//m06l_molsimps/Cr_32a_31/OH HS Cr_32a_31_OH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1431.9224101; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_4_//m06l_molsimps/Ru_31a_4_ OOH//m06l_molsimps/Ru_31a_4_/OOH LS Ru_31a_4_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1790.9298778; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_14//m06l_molsimps/Ru_3a1_14 VAC//m06l_molsimps/Ru_3a1_14/VAC LS Ru_3a1_14_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1787.3287987; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Cr_3a1_9_//m06l_molsimps/Cr_3a1_9_ VAC//m06l_molsimps/Cr_3a1_9_/VAC HS Cr_3a1_9_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1512.7891536; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Cr_3a1_9_//m06l_molsimps/Cr_3a1_9_ OH//m06l_molsimps/Cr_3a1_9_/OH HS Cr_3a1_9_OH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1588.6538644; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Cr_31a_8_//m06l_molsimps/Cr_31a_8_ OH//m06l_molsimps/Cr_31a_8_/OH HS Cr_31a_8_OH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1742.2834949; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_3a1_2_//m06l_molsimps/Ni_3a1_2_ OH//m06l_molsimps/Ni_3a1_2_/OH LS Ni_3a1_2_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1807.1944982; Eh
Results 11-20 of 565 (Search time: 0.002 seconds).