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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_3a1_25//m06l_molsimps/Ni_3a1_25 OOH//m06l_molsimps/Ni_3a1_25/OOH LS Ni_3a1_25_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1780.4393885; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_3a1_25//m06l_molsimps/Ni_3a1_25 VAC//m06l_molsimps/Ni_3a1_25/VAC HS Ni_3a1_25_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1629.5058323; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_9_//m06l_molsimps/Ru_3a1_9_ OOH//m06l_molsimps/Ru_3a1_9_/OOH LS Ru_3a1_9_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1671.2852778; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Cr_oct_desorbed_6_//m06l_molsimps/Cr_oct_desorbed_6_ OOH//m06l_molsimps/Cr_oct_desorbed_6_/OOH HS Cr_oct_desorbed_6_OOH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1605.3230809; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Cr_3a1_3_//m06l_molsimps/Cr_3a1_3_ OOH//m06l_molsimps/Cr_3a1_3_/OOH HS Cr_3a1_3_OOH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1645.803085; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Cr_3a1_3_//m06l_molsimps/Cr_3a1_3_ OH//m06l_molsimps/Cr_3a1_3_/OH HS Cr_3a1_3_OH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1570.6713979; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_31a_24//m06l_molsimps/Ni_31a_24 OOH//m06l_molsimps/Ni_31a_24/OOH LS Ni_31a_24_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1500.1168121; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_31a_24//m06l_molsimps/Ni_31a_24 VAC//m06l_molsimps/Ni_31a_24/VAC HS Ni_31a_24_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1349.1918456; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_31a_24//m06l_molsimps/Ni_31a_24 OH//m06l_molsimps/Ni_31a_24/OH LS Ni_31a_24_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1424.9842158; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_19//m06l_molsimps/Ru_31a_19 OOH//m06l_molsimps/Ru_31a_19/OOH LS Ru_31a_19_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1763.9921319; Eh
Results 61-70 of 557 (Search time: 0.003 seconds).