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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//gas_molsimps Ni_31a_13//gas_molsimps/Ni_31a_13 OOH//gas_molsimps/Ni_31a_13/OOH LS Ni_31a_13_OOH_LSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-2029.8065418; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Ni_31a_13//gas_molsimps/Ni_31a_13 VAC//gas_molsimps/Ni_31a_13/VAC HS Ni_31a_13_VAC_HSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1878.8870183; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Ni_31a_19//gas_molsimps/Ni_31a_19 OH//gas_molsimps/Ni_31a_19/OH LS Ni_31a_19_OH_LSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1764.3000074; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Ni_31a_13//gas_molsimps/Ni_31a_13 OH//gas_molsimps/Ni_31a_13/OH LS Ni_31a_13_OH_LSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1954.6534256; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Mn_oct_desorbed_5_//gas_molsimps/Mn_oct_desorbed_5_ VAC Mn_pbp_5_VAC_HSbgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1625.6998622; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Mn_oct_desorbed_3_//gas_molsimps/Mn_oct_desorbed_3_ VAC Mn_pbp_3_VAC_HSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1641.6953795; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Mn_31a_17//gas_molsimps/Mn_31a_17 VAC//gas_molsimps/Mn_31a_17/VAC HS//gas_molsimps/Mn_31a_17/VAC/HS forw Mn_31a_17_VAC_HS-f_3e-1gasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1627.9037672; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Fe_oct_desorbed_2_//gas_molsimps/Fe_oct_desorbed_2_ OOH//gas_molsimps/Fe_oct_desorbed_2_/OOH HS Fe_oct_desorbed_2_OOH_HSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1965.7909322; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Mn_31a_15//gas_molsimps/Mn_31a_15 VAC//gas_molsimps/Mn_31a_15/VAC HS Mn_31a_15_VAC_HSbbgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1643.8990509; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Mn_31a_17//gas_molsimps/Mn_31a_17 OOH//gas_molsimps/Mn_31a_17/OOH HS Mn_31a_17_OOH_HSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1778.8442835; Eh
Results 31-40 of 2205 (Search time: 0.001 seconds).