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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg//tpssh_molsimps Mn_41a_1_//tpssh_molsimps/Mn_41a_1_ OH//tpssh_molsimps/Mn_41a_1_/OH HS Mn_41a_1_OH_HS-cartesianCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1586.28777089; Eh
thumbnail.jpeg//tpssh_molsimps Mn_41a_1_//tpssh_molsimps/Mn_41a_1_ OOH//tpssh_molsimps/Mn_41a_1_/OOH HS Mn_41a_1_OOH_HS-cartesianbCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1661.42771327; Eh
thumbnail.jpeg//tpssh_molsimps Ru_41a_3_//tpssh_molsimps/Ru_41a_3_ OH//tpssh_molsimps/Ru_41a_3_/OH LS Ru_41a_3_OH_LS-cartesianCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1406.59393559; Eh
thumbnail.jpeg//tpssh_molsimps Ru_41a_3_//tpssh_molsimps/Ru_41a_3_ VAC//tpssh_molsimps/Ru_41a_3_/VAC LS Ru_41a_3_VAC_LS-cartesianCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1330.76314852; Eh
thumbnail.jpeg//tpssh_molsimps Mn_32a_31//tpssh_molsimps/Mn_32a_31 oxo//tpssh_molsimps/Mn_32a_31/oxo forw Mn_32a_31_O-f_3e-1Craig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1449.00979316; Eh
thumbnail.jpeg//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Cr_31a_1_//ht_paper_misc/mult_test_molsimps/Cr_31a_1_ VAC//ht_paper_misc/mult_test_molsimps/Cr_31a_1_/VAC HS//ht_paper_misc/mult_test_molsimps/Cr_31a_1_/VAC/HS back//ht_paper_misc/mult_test_molsimps/Cr_31a_1_/VAC/HS/back forw Cr_31a_1_VAC_HS-b_3e-1-f_3e-1Craig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1664.68494054; Eh
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