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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegFeOxoQuartet_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01UB3LYPGEN-1625.29166750; Eh
thumbnail.jpegTSatoGquartet_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01UB3LYPGEN-2406.81219556; Eh
thumbnail.jpeggQuartet_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01UB3LYPGEN-2406.89079055; Eh
thumbnail.jpeggDoublet_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01UB3LYPGEN-2406.90477024; Eh
thumbnail.jpeg4doublet_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01UB3LYPGEN-2406.81166105; Eh
thumbnail.jpegaQuartet_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01UB3LYPGEN-2406.81789256; Eh
thumbnail.jpegaDoublet_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01UB3LYPGEN-2406.81766554; Eh
thumbnail.jpegTS4toa_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01UB3LYPGEN-2406.77099523; Eh
thumbnail.jpegFeOHinCHCl3_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01UB3LYPGEN-1625.9774787; Eh
thumbnail.jpegFeOHtriplet_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01UB3LYPGEN-1625.94442159; Eh
thumbnail.jpegFeOHsinglet_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01RB3LYPGEN-1625.92612642; Eh
thumbnail.jpegFeOHanionradicalCHCl3_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01UB3LYPGEN-1626.1318382; Eh
thumbnail.jpegFeOHanionradical_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01UB3LYPGEN-1626.04911249; Eh
thumbnail.jpegaDoubletOther_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01UB3LYPGEN-2406.82123865; Eh
thumbnail.jpegTSatof_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01UB3LYPGEN-2406.79783243; Eh
thumbnail.jpegfDoublet_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01UB3LYPGEN-2406.83935341; Eh
thumbnail.jpegCationC_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01RmPW1PW916-31+G(D,P)-780.377955943; Eh
thumbnail.jpegRadical13HshiftTS_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01UmPW1PW916-31+G(D,P)-780.485381665; Eh
thumbnail.jpegRadicalA_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01UmPW1PW916-31+G(D,P)-780.579682444; Eh
thumbnail.jpegTriene5_logTantillo, DeanGaussian; 16; ES64L-G16RevC.01RmPW1PW916-31+G(D,P)-780.029470560; Eh
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