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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Feb-2021//gas_molsimps Ru_31a_11//gas_molsimps/Ru_31a_11 VAC//gas_molsimps/Ru_31a_11/VAC LS Ru_31a_11_VAC_LSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1504.4440989; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Ru_31a_10//gas_molsimps/Ru_31a_10 OOH//gas_molsimps/Ru_31a_10/OOH LS Ru_31a_10_OOH_LSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1809.0864045; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Ru_31a_11//gas_molsimps/Ru_31a_11 OOH//gas_molsimps/Ru_31a_11/OOH LS Ru_31a_11_OOH_LSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1655.4299858; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Ru_31a_10//gas_molsimps/Ru_31a_10 VAC//gas_molsimps/Ru_31a_10/VAC LS Ru_31a_10_VAC_LSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1658.1032031; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Ru_31a_10//gas_molsimps/Ru_31a_10 OH//gas_molsimps/Ru_31a_10/OH LS Ru_31a_10_OH_LSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1733.9485578; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Ru_31a_11//gas_molsimps/Ru_31a_11 OH//gas_molsimps/Ru_31a_11/OH LS Ru_31a_11_OH_LSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1580.287921; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Ni_oct_desorbed_5_ Ni_pbp_5_VAC_HSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1691.0192369; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Mn_oct_desorbed_3_//gas_molsimps/Mn_oct_desorbed_3_ OOH//gas_molsimps/Mn_oct_desorbed_3_/OOH HS Mn_oct_desorbed_3_OOH_HSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1792.6429198; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Mn_oct_desorbed_5_//gas_molsimps/Mn_oct_desorbed_5_ OOH//gas_molsimps/Mn_oct_desorbed_5_/OOH HS Mn_oct_desorbed_5_OOH_HSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1776.6396193; Eh
thumbnail.jpeg25-Feb-2021//gas_molsimps Mn_oct_desorbed_5_//gas_molsimps/Mn_oct_desorbed_5_ OH//gas_molsimps/Mn_oct_desorbed_5_/OH HS Mn_oct_desorbed_5_OH_HSgasCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1701.4966082; Eh
Results 21-30 of 2205 (Search time: 0.001 seconds).