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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required27-Sep-2021SCO_M06L_S17_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point StructureUM06LDEF2TZVP-2444.38334600; 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 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 Ru_3a1_26//m06l_molsimps/Ru_3a1_26 OOH//m06l_molsimps/Ru_3a1_26/OOH LS Ru_3a1_26_OOH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1689.0168245; Eh
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 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_ 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 Ru_3a1_26//m06l_molsimps/Ru_3a1_26 OH//m06l_molsimps/Ru_3a1_26/OH LS Ru_3a1_26_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1613.8862153; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_26//m06l_molsimps/Ru_3a1_26 VAC//m06l_molsimps/Ru_3a1_26/VAC LS Ru_3a1_26_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1538.0526808; Eh
thumbnail.jpeg25-Feb-2021//m06l_molsimps Ru_3a1_14//m06l_molsimps/Ru_3a1_14 OH//m06l_molsimps/Ru_3a1_14/OH LS Ru_3a1_14_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1863.1626637; Eh
Results 31-40 of 557 (Search time: 0.001 seconds).