********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: C6H5OH * Name: Phenol * Edge: O 1s * Alpha Formula: C6H6O * Data Source: Hitchcock * Filename: qm-0ookk.os * Ref. Code: FH92 * Write Date: 93/06/10 * Reference: J. Phys. Chem. 96 (92) 6598. * Source and Purity: (Chem lab) * Acquisition Mode: EELS, 2 deg., 2500 eV CRE, 0.7 eV fwhm *-------------------------------------------------------------- * No. of Spectra: 3 name1- 0qmos name2- 0qmos-o name3- 0qmo.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 5.249561E+02 1.134915E+04 1.134950E+04 -7.433726E-03 5.251151E+02 1.143689E+04 1.143719E+04 2.702616E-03 5.252740E+02 1.145176E+04 1.145193E+04 6.348842E-03 5.254330E+02 1.143723E+04 1.143727E+04 7.355858E-03 5.255920E+02 1.131420E+04 1.131406E+04 -1.463657E-03 5.257510E+02 1.117777E+04 1.117743E+04 -1.158343E-02 5.259100E+02 1.136172E+04 1.136117E+04 7.390641E-03 5.260690E+02 1.140589E+04 1.140509E+04 1.370396E-02 5.262280E+02 1.134305E+04 1.134201E+04 1.022528E-02 5.263870E+02 1.110587E+04 1.110454E+04 -9.361312E-03 5.265460E+02 1.116441E+04 1.116278E+04 -1.767341E-03 5.267050E+02 1.111886E+04 1.111692E+04 -3.795083E-03 5.268640E+02 1.104616E+04 1.104388E+04 -8.385853E-03 5.270230E+02 1.126204E+04 1.125942E+04 1.395493E-02 5.271820E+02 1.117803E+04 1.117505E+04 8.298793E-03 5.273410E+02 1.096715E+04 1.096381E+04 -9.366114E-03 5.275000E+02 1.115656E+04 1.115204E+04 1.058959E-02 5.276590E+02 1.101883E+04 1.101154E+04 -5.184274E-04 5.278180E+02 1.101572E+04 1.100607E+04 1.137016E-03 5.279770E+02 1.107117E+04 1.105970E+04 8.437610E-03 5.281360E+02 1.085902E+04 1.084596E+04 -9.877842E-03 5.282950E+02 1.088836E+04 1.087353E+04 -5.104638E-03 5.284540E+02 1.094015E+04 1.092322E+04 1.826093E-03 5.286130E+02 1.092946E+04 1.091030E+04 2.719007E-03 5.287720E+02 1.097118E+04 1.094990E+04 8.715894E-03 5.289310E+02 1.098194E+04 1.095827E+04 1.168996E-02 5.290900E+02 1.094905E+04 1.092137E+04 1.022918E-02 5.292490E+02 1.097476E+04 1.093870E+04 1.408216E-02 5.294080E+02 1.102558E+04 1.097186E+04 1.951249E-02 5.295670E+02 1.110342E+04 1.101400E+04 2.585889E-02 5.297260E+02 1.102866E+04 1.087139E+04 1.384169E-02 5.298849E+02 1.126123E+04 1.098547E+04 2.737186E-02 5.300439E+02 1.124185E+04 1.078152E+04 9.089281E-03 5.302029E+02 1.154611E+04 1.083453E+04 1.652395E-02 5.303619E+02 1.179153E+04 1.078898E+04 1.404006E-02 5.305209E+02 1.205239E+04 1.077299E+04 1.452168E-02 5.306799E+02 1.197795E+04 1.050102E+04 -1.106322E-02 5.308389E+02 1.213393E+04 1.058914E+04 -6.552196E-05 5.309979E+02 1.208893E+04 1.061987E+04 5.114659E-03 5.311569E+02 1.184327E+04 1.056667E+04 1.681572E-03 5.313159E+02 1.169765E+04 1.067725E+04 1.512552E-02 5.314749E+02 1.137300E+04 1.061644E+04 1.088554E-02 5.316339E+02 1.109290E+04 1.056631E+04 7.712563E-03 5.317929E+02 1.100983E+04 1.066064E+04 1.958748E-02 5.319519E+02 1.098116E+04 1.075605E+04 3.164920E-02 5.321109E+02 1.101464E+04 1.087020E+04 4.575633E-02 5.322699E+02 1.075999E+04 1.066554E+04 2.629061E-02 5.324289E+02 1.064854E+04 1.058420E+04 1.973618E-02 5.327469E+02 1.076532E+04 1.072964E+04 3.933410E-02 5.329059E+02 1.097272E+04 1.094379E+04 6.437465E-02 5.330649E+02 1.111790E+04 1.109371E+04 8.267631E-02 5.332239E+02 1.127518E+04 1.125469E+04 1.022928E-01 5.333829E+02 1.153944E+04 1.152189E+04 1.335447E-01 5.335419E+02 1.190141E+04 1.188601E+04 1.755475E-01 5.337009E+02 1.219324E+04 1.217925E+04 2.101086E-01 5.338599E+02 1.284811E+04 1.283508E+04 2.846203E-01 5.340189E+02 1.339080E+04 1.337869E+04 3.473249E-01 5.341779E+02 1.374043E+04 1.372937E+04 3.891850E-01 5.343369E+02 1.401481E+04 1.400485E+04 4.230066E-01 5.344958E+02 1.437883E+04 1.436977E+04 4.669979E-01 5.346548E+02 1.482022E+04 1.481173E+04 5.198836E-01 5.348138E+02 1.474213E+04 1.473388E+04 5.149446E-01 5.349728E+02 1.458751E+04 1.457924E+04 5.013224E-01 5.351318E+02 1.426798E+04 1.425939E+04 4.689489E-01 5.352908E+02 1.449917E+04 1.448959E+04 4.985734E-01 5.354498E+02 1.436237E+04 1.435087E+04 4.864893E-01 5.356088E+02 1.399989E+04 1.398594E+04 4.485067E-01 5.357678E+02 1.375628E+04 1.374029E+04 4.238767E-01 5.359268E+02 1.383901E+04 1.382201E+04 4.366435E-01 5.360858E+02 1.350581E+04 1.348850E+04 4.016260E-01 5.362448E+02 1.363058E+04 1.361262E+04 4.192728E-01 5.364038E+02 1.383513E+04 1.381536E+04 4.461571E-01 5.365628E+02 1.427993E+04 1.425688E+04 5.010437E-01 5.367218E+02 1.466270E+04 1.463494E+04 5.488898E-01 5.368808E+02 1.471573E+04 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7.289545E-01 5.400607E+02 1.584560E+04 1.552230E+04 7.423940E-01 5.402197E+02 1.554379E+04 1.524291E+04 7.113925E-01 5.403787E+02 1.560473E+04 1.531675E+04 7.250409E-01 5.405377E+02 1.534558E+04 1.505840E+04 6.963935E-01 5.406967E+02 1.517621E+04 1.487850E+04 6.775619E-01 5.408557E+02 1.499993E+04 1.468388E+04 6.566817E-01 5.410147E+02 1.486564E+04 1.452815E+04 6.406462E-01 5.411737E+02 1.504566E+04 1.468776E+04 6.652816E-01 5.413327E+02 1.488524E+04 1.451070E+04 6.463514E-01 5.414917E+02 1.467419E+04 1.428821E+04 6.213421E-01 5.416507E+02 1.462305E+04 1.423133E+04 6.177963E-01 5.419687E+02 1.419490E+04 1.380767E+04 5.697399E-01 5.421277E+02 1.419918E+04 1.382036E+04 5.751141E-01 5.422867E+02 1.399059E+04 1.362260E+04 5.525782E-01 5.424457E+02 1.384468E+04 1.348873E+04 5.383718E-01 5.426047E+02 1.367465E+04 1.333096E+04 5.208503E-01 5.427637E+02 1.371592E+04 1.338405E+04 5.314708E-01 5.429227E+02 1.371017E+04 1.338938E+04 5.357201E-01 5.430817E+02 1.362753E+04 1.331726E+04 5.295196E-01 5.432407E+02 1.355888E+04 1.325888E+04 5.251186E-01 5.433997E+02 1.356887E+04 1.327904E+04 5.313575E-01 5.435587E+02 1.332119E+04 1.304139E+04 5.024123E-01 5.437177E+02 1.322992E+04 1.295994E+04 4.946531E-01 5.438766E+02 1.329474E+04 1.303461E+04 5.082961E-01 5.440356E+02 1.319247E+04 1.294246E+04 4.989896E-01 5.441946E+02 1.307703E+04 1.283729E+04 4.877971E-01 5.443536E+02 1.313674E+04 1.290695E+04 5.008156E-01 5.445126E+02 1.332604E+04 1.310538E+04 5.318811E-01 5.446716E+02 1.322496E+04 1.301238E+04 5.223386E-01 5.448306E+02 1.302620E+04 1.282058E+04 4.988264E-01 5.449896E+02 1.290475E+04 1.270490E+04 4.858648E-01 5.451486E+02 1.281466E+04 1.261936E+04 4.770596E-01 5.453076E+02 1.277193E+04 1.258011E+04 4.747514E-01 5.454666E+02 1.257863E+04 1.238967E+04 4.508559E-01 5.456256E+02 1.264193E+04 1.245569E+04 4.634676E-01 5.457846E+02 1.266299E+04 1.247946E+04 4.700859E-01 5.459436E+02 1.250224E+04 1.232114E+04 4.504978E-01 5.461026E+02 1.244728E+04 1.226806E+04 4.459730E-01 5.462616E+02 1.230404E+04 1.212625E+04 4.285220E-01 5.464206E+02 1.239076E+04 1.221427E+04 4.444063E-01 5.465796E+02 1.230286E+04 1.212775E+04 4.348768E-01 5.467386E+02 1.237168E+04 1.219778E+04 4.482272E-01 5.468976E+02 1.239952E+04 1.222623E+04 4.555368E-01 5.470566E+02 1.229118E+04 1.211781E+04 4.426631E-01 5.472156E+02 1.210964E+04 1.193585E+04 4.187774E-01 5.473746E+02 1.204543E+04 1.187117E+04 4.121585E-01 5.475336E+02 1.224071E+04 1.206588E+04 4.442089E-01 5.476926E+02 1.209916E+04 1.192335E+04 4.259378E-01 5.478516E+02 1.217288E+04 1.199562E+04 4.398240E-01 5.480106E+02 1.192452E+04 1.174574E+04 4.051746E-01 5.481696E+02 1.203425E+04 1.185450E+04 4.245820E-01 5.483286E+02 1.202314E+04 1.184331E+04 4.258836E-01 5.484875E+02 1.196577E+04 1.178652E+04 4.202212E-01 5.486465E+02 1.209640E+04 1.191777E+04 4.432913E-01 5.488055E+02 1.190365E+04 1.172545E+04 4.168018E-01 5.489645E+02 1.199715E+04 1.181940E+04 4.342426E-01 5.491235E+02 1.181264E+04 1.163556E+04 4.088158E-01 5.492825E+02 1.193824E+04 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