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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_32a_31//m06l_molsimps/Ni_32a_31 OOH//m06l_molsimps/Ni_32a_31/OOH HS//m06l_molsimps/Ni_32a_31/OOH/HS forw Ni_32a_31_OOH_HSb-f_3e-1m06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1589.9699623; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Mn_3a1_20//m06l_molsimps/Mn_3a1_20 OH//m06l_molsimps/Mn_3a1_20/OH HS Mn_3a1_20_OH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1682.9341393; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_11//m06l_molsimps/Ru_3a1_11 VAC//m06l_molsimps/Ru_3a1_11/VAC LS Ru_3a1_11_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1504.2942916; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_11//m06l_molsimps/Ru_3a1_11 OOH//m06l_molsimps/Ru_3a1_11/OOH LS Ru_3a1_11_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1655.269579; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_11//m06l_molsimps/Ru_3a1_11 OH//m06l_molsimps/Ru_3a1_11/OH LS Ru_3a1_11_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1580.1361357; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_29//m06l_molsimps/Ru_31a_29 OOH//m06l_molsimps/Ru_31a_29/OOH LS Ru_31a_29_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1519.3714322; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_29//m06l_molsimps/Ru_31a_29 VAC//m06l_molsimps/Ru_31a_29/VAC LS Ru_31a_29_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1368.4034343; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_29//m06l_molsimps/Ru_31a_29 OH//m06l_molsimps/Ru_31a_29/OH LS Ru_31a_29_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1444.2371494; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_32a_31//m06l_molsimps/Ni_32a_31 OH//m06l_molsimps/Ni_32a_31/OH LS Ni_32a_31_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1514.836203; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_32a_31//m06l_molsimps/Ni_32a_31 VAC//m06l_molsimps/Ni_32a_31/VAC HS Ni_32a_31_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1439.0454324; Eh
Results 561-570 of 596 (Search time: 0.002 seconds).