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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-2020PCo4-Eo-b3lyp-ls-pcmCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7756.62294521; Eh
thumbnail.jpeg10-Aug-2020PCo4-Evac-b3lyp-hs-pcmCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7681.52391173; Eh
thumbnail.jpeg10-Aug-2020PCo4-Evac-b3lyp-hs-pcm-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7681.52391173; Eh
thumbnail.jpeg10-Aug-2020MnII_N-AlCo3-Eo-b3lyp-hs-pcmbbCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7518.33652467; Eh
thumbnail.jpeg10-Aug-2020MnII_N-AlCo3-Evac-b3lyp-hs-pcmbbCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7443.19294635; Eh
thumbnail.jpeg10-Aug-2020MnII_N-AlCo3-Eooh-b3lyp-hs-pcmbbCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7594.14353404; Eh
thumbnail.jpeg10-Aug-2020MnIII_N-AlCo3-Eoh-b3lyp-hs-pcmbbCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7518.86667907; Eh
thumbnail.jpeg10-Aug-2020MnIII_N-AlCo3-Eo-b3lyp-hs-pcmbbCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7518.19337146; Eh
thumbnail.jpeg10-Aug-2020MnIII_N-AlCo3-Evac-b3lyp-hs-pcmbbCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7443.06761406; Eh
Results 31-40 of 1159 (Search time: 0.002 seconds).