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  • DVR NM 8-6 Fine Grid H3 Vs D3

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    DanT218
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    180308_DVR_nm_8-6_fine_grid_H3_vs_D3

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    5 views1 page

    DVR NM 8-6 Fine Grid H3 Vs D3

    Uploaded by

    DanT218

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Flag for inappropriate content
    of 1

    Energy kJ mol

    [2HCOO−+H+]−
    [2HCOO +H ]
    − + −
    [2DCOO−+D+]−
    Mode Freq Gaussian Freq from Harm Fit Freq from Quartic Fit and
    Freqquartic.nb
    from 1D DVR Freq 2D DVR 8+6
    6 284.7919 3588.65 1063.09 903.718 1211
    8 831.6597 2297.23 572.403 906.324 662.4

    [2DCOO−+D+]−
    6 239.5286 1716.93 662.408 593.242 548.916
    8 839.6935 1127.45 297.822 811.462 894.997

    [2HCOO−+H+]− 1 Q8, Q6 2 Q8, Q6 3 Q8, Q6

    [2DCOO−+D+]− 1 Q8, Q6 2 Q8, Q6 3 Q8, Q6

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