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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg//m06l_molsimps Ru_3a1_1_//m06l_molsimps/Ru_3a1_1_ OH//m06l_molsimps/Ru_3a1_1_/OH LS Ru_3a1_1_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01UM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1747.8255847; Eh
thumbnail.jpeg//m06l_molsimps Ru_31a_1_//m06l_molsimps/Ru_31a_1_ OH//m06l_molsimps/Ru_31a_1_/OH LS Ru_31a_1_OH_LSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01UM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1747.8196241; Eh
thumbnail.jpeg//b3lyp_molsimps Ru_31a_1_//b3lyp_molsimps/Ru_31a_1_ OH//b3lyp_molsimps/Ru_31a_1_/OH LS Ru_31a_1_OH_LSb3lypCraig, MichaelGaussian; 09; ES64L-G09RevE.01UB3LYP6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1747.9612895; Eh
thumbnail.jpeg//b3lyp_molsimps Ru_3a1_1_//b3lyp_molsimps/Ru_3a1_1_ OH//b3lyp_molsimps/Ru_3a1_1_/OH LS Ru_3a1_1_OH_LSb3lypCraig, MichaelGaussian; 09; ES64L-G09RevE.01UB3LYP6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1747.9669953; Eh
thumbnail.jpeg//gas_molsimps Ru_31a_1_//gas_molsimps/Ru_31a_1_ OH//gas_molsimps/Ru_31a_1_/OH LS Ru_31a_1_OH_LSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1747.8577505; 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_ OH//ht_paper_misc/mult_test_molsimps/Ru_31a_1_/OH HS Ru_31a_1_OH_HSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1748.06381857; 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_ OH//ht_paper_misc/mult_test_molsimps/Ru_31a_1_/OH LS Ru_31a_1_OH_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1748.06381857; 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_ OH//ht_paper_misc/mult_test_molsimps/Ru_3a1_1_/OH HS Ru_3a1_1_OH_HSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1747.90170213; 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_ OH//ht_paper_misc/mult_test_molsimps/Ru_3a1_1_/OH LS Ru_3a1_1_OH_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1748.06975514; Eh
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