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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Aug-2020Ru_N-AlCo3-Eoh-b3lyp-ls-pcmbb-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7508.90080082; Eh
thumbnail.jpeg10-Aug-2020Ru_N-AlCo3-Eoh-b3lyp-ls-pcmbbCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7508.90080084; Eh
thumbnail.jpeg10-Aug-2020Eo-Ru2_N-AlCo3-ls-pcmbbCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7508.26945532; Eh
thumbnail.jpeg10-Aug-2020Ru_N-AlCo3-Evac-b3lyp-hs-pcmbb-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point TSUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7433.01794453; Eh
thumbnail.jpeg10-Aug-2020Ru_N-AlCo3-Evac-b3lyp-hs-pcmbbCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7433.01794453; Eh
thumbnail.jpeg10-Aug-2020Ru_N-AlCo3-Evac-b3lyp-ls-pcmbbCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7433.04559240; Eh
thumbnail.jpeg10-Aug-2020Eooh_Ru2_N-Al-b3lyp-ls-pcmbbCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7584.04366763; Eh
thumbnail.jpeg10-Aug-2020Ru_N-AlCo3-Eoh-b3lyp-ls-pcmbbCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7508.78005621; Eh
thumbnail.jpeg10-Aug-2020PCo4-Eo-b3lyp-ls-pcm-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7756.62294521; Eh
thumbnail.jpeg10-Aug-2020PCo4-Eoh-b3lyp-ls-pcmbb-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7757.29576165; Eh
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