********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: H2O * Name: Water * Edge: O 1s * Alpha Formula: H2O * Data Source: Hitchcock * Filename: wa-0ookk.os * Ref. Code: MI&87 * Write Date: 93/06/10 * Reference: J.Chem.Phys. 87 (87) 4344. * Source and Purity: N/A * Acquisition Mode: EELS, 2 deg., 2500 eV CRE, 0.7 eV fwhm *-------------------------------------------------------------- * No. of Spectra: 2 name1- 0wao.add name2- 0wao.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 5.181480E+02 4.202150E+02 -8.753677E-05 5.182860E+02 4.499080E+02 2.773476E-03 5.184240E+02 3.845840E+02 -1.297644E-03 5.185610E+02 4.019830E+02 -1.776876E-03 5.186990E+02 4.000430E+02 -1.945418E-03 5.188370E+02 3.557000E+02 1.274423E-03 5.189740E+02 3.550040E+02 1.276194E-03 5.191120E+02 4.563000E+02 3.530351E-03 5.192500E+02 3.336130E+02 3.209943E-03 5.193880E+02 3.680280E+02 -1.783216E-04 5.195250E+02 4.423990E+02 2.257887E-03 5.196630E+02 4.547000E+02 3.472067E-03 5.198010E+02 3.760830E+02 -1.161005E-03 5.199380E+02 3.622220E+02 1.167250E-04 5.200760E+02 5.258200E+02 1.045868E-02 5.202140E+02 3.036710E+02 5.682469E-03 5.203510E+02 3.885820E+02 -2.652200E-03 5.204890E+02 4.052900E+02 -1.204515E-03 5.206270E+02 3.847790E+02 -2.421029E-03 5.207640E+02 4.591590E+02 4.101223E-03 5.209020E+02 4.360920E+02 1.867040E-03 5.210400E+02 4.183280E+02 1.471309E-04 5.211780E+02 3.347170E+02 2.213896E-03 5.213150E+02 3.298240E+02 2.630833E-03 5.214530E+02 3.642890E+02 -8.245070E-04 5.215910E+02 4.397430E+02 2.336281E-03 5.217280E+02 4.158720E+02 4.161488E-06 5.218660E+02 3.946570E+02 -2.071578E-03 5.220040E+02 3.989320E+02 -1.632028E-03 5.221410E+02 3.466120E+02 5.857088E-04 5.222790E+02 3.517120E+02 1.403196E-05 5.224170E+02 4.059310E+02 -8.848166E-04 5.225550E+02 3.642190E+02 -1.362628E-03 5.226920E+02 3.816320E+02 -3.163531E-03 5.228300E+02 4.559390E+02 4.151797E-03 5.229680E+02 4.046630E+02 -9.376528E-04 5.231050E+02 3.525980E+02 -4.765078E-04 5.232430E+02 3.669180E+02 -1.975601E-03 5.233810E+02 4.728470E+02 5.941836E-03 5.235180E+02 3.165490E+02 2.933376E-03 5.236560E+02 3.541040E+02 -8.980989E-04 5.237940E+02 3.287100E+02 1.585069E-03 5.239310E+02 4.120080E+02 -7.074953E-05 5.240690E+02 2.936400E+02 4.986723E-03 5.242070E+02 3.497320E+02 -7.293012E-04 5.243450E+02 3.462230E+02 -4.428905E-04 5.244820E+02 3.297930E+02 1.150165E-03 5.246200E+02 3.457190E+02 -5.268239E-04 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2.867158E-01 5.352220E+02 3.719370E+03 3.683830E-01 5.353600E+02 5.168230E+03 5.297375E-01 5.354980E+02 7.476650E+03 7.870446E-01 5.356360E+02 1.034920E+04 1.107755E+00 5.357730E+02 1.254920E+04 1.354267E+00 5.359110E+02 1.352560E+04 1.464827E+00 5.360490E+02 1.303310E+04 1.411563E+00 5.361860E+02 1.149650E+04 1.241371E+00 5.363240E+02 9.662750E+03 1.037525E+00 5.364620E+02 7.816060E+03 8.317404E-01 5.365990E+02 6.851480E+03 7.244722E-01 5.367370E+02 6.894610E+03 7.301916E-01 5.368750E+02 7.782160E+03 8.309223E-01 5.370130E+02 8.714120E+03 9.368887E-01 5.371500E+02 9.041570E+03 9.749330E-01 5.372880E+02 8.806710E+03 9.495823E-01 5.374260E+02 7.807100E+03 8.377309E-01 5.375630E+02 6.917110E+03 7.380131E-01 5.377010E+02 6.356500E+03 6.753828E-01 5.378390E+02 6.180130E+03 6.561892E-01 5.379760E+02 5.985700E+03 6.348940E-01 5.381140E+02 5.976830E+03 6.346493E-01 5.382520E+02 5.991340E+03 6.370658E-01 5.383890E+02 6.115430E+03 6.519699E-01 5.385270E+02 6.448440E+03 6.907497E-01 5.386650E+02 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