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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//m06l_molsimps Cr_3a1_29//m06l_molsimps/Cr_3a1_29 VAC//m06l_molsimps/Cr_3a1_29/VAC HS Cr_3a1_29_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1360.8743268; 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_ OOH//m06l_molsimps/Ru_31a_3_/OOH LS Ru_31a_3_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1653.3101403; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_31a_3_//m06l_molsimps/Ru_31a_3_ VAC//m06l_molsimps/Ru_31a_3_/VAC LS Ru_31a_3_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1502.3591944; 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 Fe_31a_29//m06l_molsimps/Fe_31a_29 OOH//m06l_molsimps/Fe_31a_29/OOH HS Fe_31a_29_OOH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1548.9643512; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Fe_31a_29//m06l_molsimps/Fe_31a_29 VAC//m06l_molsimps/Fe_31a_29/VAC HS Fe_31a_29_VAC_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1398.0132884; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Fe_31a_29//m06l_molsimps/Fe_31a_29 OH//m06l_molsimps/Fe_31a_29/OH HS Fe_31a_29_OH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1473.8318711; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ni_3a1_25//m06l_molsimps/Ni_3a1_25 OH//m06l_molsimps/Ni_3a1_25/OH LS Ni_3a1_25_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1705.3070503; 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
Results 41-50 of 557 (Search time: 0.002 seconds).