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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg//m06l_molsimps Mn_3a1_26//m06l_molsimps/Mn_3a1_26 OH//m06l_molsimps/Mn_3a1_26/OH HS Mn_3a1_26_OH_HSm06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01UM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1623.976974; Eh
thumbnail.jpeg//m06l_molsimps Mn_31a_26//m06l_molsimps/Mn_31a_26 OH//m06l_molsimps/Mn_31a_26/OH HS//m06l_molsimps/Mn_31a_26/OH/HS forw Mn_31a_26_OH_HS-f_3e-1m06lCraig, MichaelGaussian; 09; ES64L-G09RevE.01UM06L6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1623.9769959; Eh
thumbnail.jpeg//b3lyp_molsimps Mn_31a_26//b3lyp_molsimps/Mn_31a_26 OH//b3lyp_molsimps/Mn_31a_26/OH HS//b3lyp_molsimps/Mn_31a_26/OH/HS forw Mn_31a_26_OH_HS-f_3e-1b3lypCraig, MichaelGaussian; 09; ES64L-G09RevE.01UB3LYP6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1624.083199; Eh
thumbnail.jpeg//b3lyp_molsimps Mn_3a1_26//b3lyp_molsimps/Mn_3a1_26 OH//b3lyp_molsimps/Mn_3a1_26/OH HS Mn_3a1_26_OH_HSb3lypCraig, MichaelGaussian; 09; ES64L-G09RevE.01UB3LYP6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1624.0845887; Eh
thumbnail.jpeg//gas_molsimps Mn_31a_26//gas_molsimps/Mn_31a_26 OH//gas_molsimps/Mn_31a_26/OH HS//gas_molsimps/Mn_31a_26/OH/HS forw Mn_31a_26_OH_HS-f_3e-1gasCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1624.046734; Eh
thumbnail.jpeg//gas_molsimps Mn_3a1_26//gas_molsimps/Mn_3a1_26 OH//gas_molsimps/Mn_3a1_26/OH HS Mn_3a1_26_OH_HSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01UTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1624.0527129; Eh
Results 1-6 of 6 (Search time: 0.16 seconds).