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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//m06l_molsimps Fe_31a_18//m06l_molsimps/Fe_31a_18 OOH//m06l_molsimps/Fe_31a_18/OOH HS Fe_31a_18_OOH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1644.6109987; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Fe_31a_18//m06l_molsimps/Fe_31a_18 VAC//m06l_molsimps/Fe_31a_18/VAC HS Fe_31a_18_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1493.6499459; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_27//m06l_molsimps/Ru_31a_27 OOH//m06l_molsimps/Ru_31a_27/OOH LS Ru_31a_27_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1535.3832459; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Cr_3a1_29//m06l_molsimps/Cr_3a1_29 OH//m06l_molsimps/Cr_3a1_29/OH HS Cr_3a1_29_OH_HSbm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1436.7454867; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_3_//m06l_molsimps/Ru_31a_3_ OH//m06l_molsimps/Ru_31a_3_/OH LS Ru_31a_3_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1578.17647; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_9_//m06l_molsimps/Ru_3a1_9_ VAC//m06l_molsimps/Ru_3a1_9_/VAC LS Ru_3a1_9_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1520.3114459; 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 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 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
Results 21-30 of 565 (Search time: 0.002 seconds).