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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Aug-2021Cr_32a_35_O5bCraig, MichaelGaussian; 09; EM64L-G09RevA.02Single point Structure-6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D)-1313.24943609; Eh
thumbnail.jpeg28-Aug-2021Mn_31a_24_O5Craig, MichaelGaussian; 09; ES64L-G09RevE.01Single point Structure-6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D)-1358.90393825; Eh
Login required27-Aug-2021Fe_pbp_3_VAC_HS_calcfcCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point Structure-6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D)-1661.26629945; Eh
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-2020Ru3_N-AlCo3-Evac-b3lyp-ls-pcmbb-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7432.94138964; Eh
thumbnail.jpeg10-Aug-2020MnIII_N-AlCo3-Eooh-b3lyp-hs-pcmbb-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7594.00262070; 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
thumbnail.jpeg10-Aug-2020AlCo4-Evac-b3lyp-hs-pcmbb-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7484.30149916; Eh
thumbnail.jpeg10-Aug-2020AlCo4-Eoh-b3lyp-ls-pcmbb-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7560.08706499; Eh
thumbnail.jpeg10-Aug-2020AlCo4-Eooh-b3lyp-ls-pcmbb-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7635.22507119; Eh
Results 21-30 of 38 (Search time: 0.002 seconds).