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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg//tpssh_molsimps Cr_3a1_29//tpssh_molsimps/Cr_3a1_29 VAC//tpssh_molsimps/Cr_3a1_29/VAC HS Cr_3a1_29_VAC_HSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1361.01371390; Eh
thumbnail.jpeg//tpssh_molsimps Cr_3a1_29//tpssh_molsimps/Cr_3a1_29 OOH//tpssh_molsimps/Cr_3a1_29/OOH HS Cr_3a1_29_OOH_HSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1512.01541636; Eh
thumbnail.jpeg//tpssh_molsimps Cr_31a_19//tpssh_molsimps/Cr_31a_19 OH//tpssh_molsimps/Cr_31a_19/OH HS Cr_31a_19_OH_HSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1681.54443694; Eh
thumbnail.jpeg//tpssh_molsimps Cr_31a_19//tpssh_molsimps/Cr_31a_19 oxo Cr_31a_19_OCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1680.88990182; Eh
thumbnail.jpeg//tpssh_molsimps Cr_31a_19//tpssh_molsimps/Cr_31a_19 VAC//tpssh_molsimps/Cr_31a_19/VAC HS Cr_31a_19_VAC_HSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1605.69494795; Eh
thumbnail.jpeg//tpssh_molsimps Cr_31a_19//tpssh_molsimps/Cr_31a_19 oxo5 Cr_31a_19_O5Craig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1680.68819630; Eh
thumbnail.jpeg//tpssh_molsimps Cr_31a_19//tpssh_molsimps/Cr_31a_19 OOH//tpssh_molsimps/Cr_31a_19/OOH HS Cr_31a_19_OOH_HSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1756.68059353; Eh
thumbnail.jpeg//tpssh_molsimps Ru_31a_9_//tpssh_molsimps/Ru_31a_9_ OH//tpssh_molsimps/Ru_31a_9_/OH LS Ru_31a_9_OH_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1596.34545791; Eh
thumbnail.jpeg//tpssh_molsimps Ru_31a_9_//tpssh_molsimps/Ru_31a_9_ VAC//tpssh_molsimps/Ru_31a_9_/VAC LS Ru_31a_9_VAC_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1520.50392542; Eh
thumbnail.jpeg//tpssh_molsimps Ru_31a_9_//tpssh_molsimps/Ru_31a_9_ OOH//tpssh_molsimps/Ru_31a_9_/OOH LS Ru_31a_9_OOH_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1671.48872607; Eh
thumbnail.jpeg//tpssh_molsimps Ru_31a_27//tpssh_molsimps/Ru_31a_27 OH//tpssh_molsimps/Ru_31a_27/OH LS Ru_31a_27_OH_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1460.39963428; Eh
thumbnail.jpeg//tpssh_molsimps Ru_31a_27//tpssh_molsimps/Ru_31a_27 oxo Ru_31a_27_O_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1459.76091507; Eh
thumbnail.jpeg//tpssh_molsimps Ru_31a_27//tpssh_molsimps/Ru_31a_27 VAC//tpssh_molsimps/Ru_31a_27/VAC LS Ru_31a_27_VAC_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1384.56514331; Eh
thumbnail.jpeg//tpssh_molsimps Ru_31a_27//tpssh_molsimps/Ru_31a_27 oxo5 Ru_31a_27_O5Craig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1459.55328393; Eh
thumbnail.jpeg//tpssh_molsimps Ru_31a_27//tpssh_molsimps/Ru_31a_27 OOH//tpssh_molsimps/Ru_31a_27/OOH LS Ru_31a_27_OOH_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1535.54100454; Eh
thumbnail.jpeg//tpssh_molsimps Fe_31a_18//tpssh_molsimps/Fe_31a_18 OH//tpssh_molsimps/Fe_31a_18/OH LS Fe_31a_18_OH_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1569.60179339; Eh
thumbnail.jpeg//tpssh_molsimps Fe_31a_18//tpssh_molsimps/Fe_31a_18 OH//tpssh_molsimps/Fe_31a_18/OH HS Fe_31a_18_OH_HSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1569.60091646; Eh
thumbnail.jpeg//tpssh_molsimps Fe_31a_18//tpssh_molsimps/Fe_31a_18 oxo//tpssh_molsimps/Fe_31a_18/oxo LS Fe_31a_18_O_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1568.95814955; Eh
thumbnail.jpeg//tpssh_molsimps Fe_31a_18//tpssh_molsimps/Fe_31a_18 oxo//tpssh_molsimps/Fe_31a_18/oxo HS Fe_31a_18_O_HSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1568.94498162; Eh
thumbnail.jpeg//tpssh_molsimps Fe_31a_18//tpssh_molsimps/Fe_31a_18 VAC//tpssh_molsimps/Fe_31a_18/VAC HS Fe_31a_18_VAC_HSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1493.78724841; Eh
thumbnail.jpeg//tpssh_molsimps Fe_31a_18//tpssh_molsimps/Fe_31a_18 OOH//tpssh_molsimps/Fe_31a_18/OOH LS Fe_31a_18_OOH_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1644.74160484; Eh
thumbnail.jpeg//tpssh_molsimps Fe_31a_18//tpssh_molsimps/Fe_31a_18 OOH//tpssh_molsimps/Fe_31a_18/OOH HS Fe_31a_18_OOH_HSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1644.74252312; Eh
thumbnail.jpeg//tpssh_molsimps Co_3a1_27//tpssh_molsimps/Co_3a1_27 OH//tpssh_molsimps/Co_3a1_27/OH LS Co_3a1_27_OH_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1511.55508400; Eh
thumbnail.jpeg//tpssh_molsimps Co_3a1_27//tpssh_molsimps/Co_3a1_27 VAC//tpssh_molsimps/Co_3a1_27/VAC HS Co_3a1_27_VAC_HSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1435.75263780; Eh
thumbnail.jpeg//tpssh_molsimps Co_3a1_27//tpssh_molsimps/Co_3a1_27 OOH//tpssh_molsimps/Co_3a1_27/OOH LS Co_3a1_27_OOH_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1586.69416218; Eh
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