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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg//m06l_molsimps Ru_3a1_1_//m06l_molsimps/Ru_3a1_1_ VAC//m06l_molsimps/Ru_3a1_1_/VAC LS Ru_3a1_1_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01UM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1672.008246; Eh
thumbnail.jpeg//m06l_molsimps Ru_31a_1_//m06l_molsimps/Ru_31a_1_ VAC//m06l_molsimps/Ru_31a_1_/VAC LS Ru_31a_1_VAC_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01UM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1672.0074822; Eh
thumbnail.jpeg//b3lyp_molsimps Ru_31a_1_//b3lyp_molsimps/Ru_31a_1_ VAC//b3lyp_molsimps/Ru_31a_1_/VAC LS Ru_31a_1_VAC_LSb3lypCraig, MichaelGaussian; 09; ES64L-G09RevE.01UB3LYP6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1672.1409532; Eh
thumbnail.jpeg//b3lyp_molsimps Ru_3a1_1_//b3lyp_molsimps/Ru_3a1_1_ VAC//b3lyp_molsimps/Ru_3a1_1_/VAC LS Ru_3a1_1_VAC_LSb3lypCraig, MichaelGaussian; 09; ES64L-G09RevE.01UB3LYP6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1672.1470589; Eh
thumbnail.jpeg//gas_molsimps Ru_31a_1_//gas_molsimps/Ru_31a_1_ VAC//gas_molsimps/Ru_31a_1_/VAC LS Ru_31a_1_VAC_LSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1672.0298569; Eh
thumbnail.jpeg//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Ru_31a_1_//ht_paper_misc/mult_test_molsimps/Ru_31a_1_ VAC//ht_paper_misc/mult_test_molsimps/Ru_31a_1_/VAC HS Ru_31a_1_VAC_HSCraig, MichaelGaussian; 09; ES64L-G09RevE.01-6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D)-1672.16088092; Eh
thumbnail.jpeg//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Ru_31a_1_//ht_paper_misc/mult_test_molsimps/Ru_31a_1_ VAC//ht_paper_misc/mult_test_molsimps/Ru_31a_1_/VAC LS Ru_31a_1_VAC_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1672.24489513; Eh
thumbnail.jpeg//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Ru_3a1_1_//ht_paper_misc/mult_test_molsimps/Ru_3a1_1_ VAC//ht_paper_misc/mult_test_molsimps/Ru_3a1_1_/VAC HS Ru_3a1_1_VAC_HSCraig, MichaelGaussian; 09; ES64L-G09RevE.01-6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D)-1672.16312257; Eh
thumbnail.jpeg//ht_paper_misc mult_test_molsimps//ht_paper_misc/mult_test_molsimps Ru_3a1_1_//ht_paper_misc/mult_test_molsimps/Ru_3a1_1_ VAC//ht_paper_misc/mult_test_molsimps/Ru_3a1_1_/VAC LS Ru_3a1_1_VAC_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1672.24965069; Eh
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