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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Aug-2020Mn_N-SiCo3-Eo-b3lyp-hs-pcmbb-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7612.22740804; Eh
thumbnail.jpeg10-Aug-2020MnIII_N-SiCo3-Eo-b3lyp-hs-pcmbbCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7612.06445941; Eh
thumbnail.jpeg10-Aug-2020Fe_N-PCo3-Eoh-b3lyp-ls-pcm_fromSibbCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7735.50735124; Eh
thumbnail.jpeg10-Aug-2020Mn_N-SiCo3-Eoh-b3lyp-hs-pcmbb-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point StructureUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7612.89645144; Eh
thumbnail.jpeg10-Aug-2020Mn_N-SiCo3-Eooh-b3lyp-hs-pcmbbCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7688.02684117; Eh
thumbnail.jpeg10-Aug-2020Mn_N-SiCo3-Eooh-b3lyp-hs-pcmbb-freqCraig, MichaelGaussian; 09; ES64L-G09RevE.01Single point TSUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7688.02684117; Eh
thumbnail.jpeg10-Aug-2020MnIII_N-SiCo3-Eoh-b3lyp-hs-pcmbbCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7612.73791025; Eh
thumbnail.jpeg10-Aug-2020Mn_N-SiCo3-Evac-b3lyp-hs-pcmbbCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7537.08812774; Eh
thumbnail.jpeg10-Aug-2020Mn_N-SiCo3-Eo-b3lyp-hs-pcmbbCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7612.22740804; Eh
thumbnail.jpeg10-Aug-2020Mn_N-SiCo3-Eoh-b3lyp-hs-pcmbbCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D) 6-31G(D,P) GEN-7612.89645144; Eh
Results 121-130 of 968 (Search time: 0.002 seconds).