Mo3+ CORE VALENCE 4d POPULATION 36.000000000 3.000000000 sinth/l J0 TOT J0 CORE J0 VAL 0.00 39.000000000 36.000000000 1.000000000 0.05 38.534669886 35.693466603 0.947067761 0.10 37.227066320 34.813045734 0.804673529 0.15 35.305426097 33.465986716 0.613146460 0.20 33.052525818 31.800916872 0.417202982 0.25 30.723294025 29.974907294 0.249462244 0.30 28.499247950 28.125110162 0.124712596 0.35 26.481340979 26.351753635 0.043195781 0.40 24.705214737 24.713683715 -0.002822993 0.45 23.163083771 23.233447437 -0.023454555 0.50 21.823488732 21.907315218 -0.027942162 0.55 20.645946065 20.716167796 -0.023407244 0.60 19.590426327 19.634679495 -0.014751056 0.65 18.622618795 18.637751048 -0.005044084 0.70 17.716138992 17.704209821 0.003976390 0.75 16.852733105 16.818335802 0.011465768 0.80 16.021329185 15.969920449 0.017136246 0.85 15.216558574 15.153493622 0.021021651 0.90 14.437162484 14.367195338 0.023322382 0.95 13.684528711 13.611603586 0.024308375 1.00 12.961478553 12.888693316 0.024261746 1.05 12.271340852 12.201004533 0.023445439 1.10 11.617300359 11.551035487 0.022088291 1.15 11.001982258 10.940842257 0.020380000 1.20 10.427225220 10.371809877 0.018471781 1.25 9.893995545 9.844555667 0.016479959 1.30 9.402400149 9.358927597 0.014490851 1.35 8.951763498 8.914065709 0.012565930 1.40 8.540741212 8.508501017 0.010746732 1.45 8.167450151 8.140272500 0.009059217 1.50 7.829600765 7.807048273 0.007517497 1.55 7.524622332 7.506241599 0.006126911 1.60 7.249775437 7.235115935 0.004886501 1.65 7.002248773 6.990875883 0.003790964 1.70 6.779239332 6.770742866 0.002832155 1.75 6.578016309 6.572015635 0.002000225 1.80 6.395969926 6.392116568 0.001284453 1.85 6.230646798 6.228625225 0.000673857 1.90 6.079773686 6.079300841 0.000157615 1.95 5.941271532 5.942095505 -0.000274658 2.00 5.813261556 5.815159721 -0.000632722 2.05 5.694065062 5.696841911 -0.000925616 2.10 5.582198416 5.585683252 -0.001161612 2.15 5.476364451 5.480409061 -0.001348203 2.20 5.375441365 5.379917741 -0.001492126 2.25 5.278469969 5.283268153 -0.001599395 2.30 5.184640025 5.189666079 -0.001675351 2.35 5.093276203 5.098450343 -0.001724713 2.40 5.003824101 5.009078993 -0.001751631 2.45 4.915836656 4.921115874 -0.001759739 2.50 4.828961171 4.834217805 -0.001752211 2.55 4.742927112 4.748122534 -0.001731807 2.60 4.657534796 4.662637552 -0.001700919 2.65 4.572645002 4.577629836 -0.001661611 2.70 4.488169535 4.493016523 -0.001615663 2.75 4.404062730 4.408756523 -0.001564598 2.80 4.320313868 4.324843020 -0.001509717 2.85 4.236940459 4.241296846 -0.001452129 2.90 4.153982339 4.158160645 -0.001392769 2.95 4.071496528 4.075493802 -0.001332425 3.00 3.989552777 3.993368044 -0.001271756 3.05 3.908229755 3.911863679 -0.001211308 3.10 3.827611800 3.831066396 -0.001151532 3.15 3.747786192 3.751064570 -0.001092793 3.20 3.668840875 3.671947028 -0.001035384 3.25 3.590862593 3.593801208 -0.000979538 3.30 3.513935375 3.516711675 -0.000925433 3.35 3.438139331 3.440758939 -0.000873203 3.40 3.363549727 3.366018552 -0.000822941 3.45 3.290236284 3.292560420 -0.000774712 3.50 3.218262684 3.220448331 -0.000728549 3.55 3.147686238 3.149739635 -0.000684466 3.60 3.078557712 3.080485077 -0.000642455 3.65 3.010921260 3.012728742 -0.000602494 3.70 2.944814460 2.946508104 -0.000564548 3.75 2.880268434 2.881854152 -0.000528572 3.80 2.817308035 2.818791577 -0.000494514 3.85 2.755952081 2.757339019 -0.000462313 3.90 2.696213628 2.697509342 -0.000431905 3.95 2.638100277 2.639309947 -0.000403223 4.00 2.581614503 2.582743099 -0.000376199 4.05 2.526753992 2.527806271 -0.000350760 4.10 2.473511985 2.474492490 -0.000326835 4.15 2.421877629 2.422790693 -0.000304355 4.20 2.371836323 2.372686067 -0.000283248 4.25 2.323370060 2.324160399 -0.000263446 4.30 2.276457758 2.277192400 -0.000244881 4.35 2.231075573 2.231758034 -0.000227487 4.40 2.187197218 2.187830822 -0.000211201 4.45 2.144794250 2.145382137 -0.000195962 4.50 2.103836356 2.104381487 -0.000181710 4.55 2.064291605 2.064796771 -0.000168389 4.60 2.026126704 2.026594535 -0.000155944 4.65 1.989307230 1.989740199 -0.000144323 4.70 1.953797846 1.954198279 -0.000133478 4.75 1.919562496 1.919932576 -0.000123360 4.80 1.886564594 1.886906371 -0.000113926 4.85 1.854767194 1.855082591 -0.000105132 4.90 1.824133147 1.824423967 -0.000096940 4.95 1.794625243 1.794893175 -0.000089311 5.00 1.766206337 1.766452963 -0.000082209 5.05 1.738839467 1.739066266 -0.000075600 5.10 1.712487960 1.712696316 -0.000069452 5.15 1.687115526 1.687306735 -0.000063736 5.20 1.662686342 1.662861615 -0.000058424 5.25 1.639165124 1.639325590 -0.000053489 5.30 1.616517186 1.616663902 -0.000048905 5.35 1.594708506 1.594842456 -0.000044650 5.40 1.573705768 1.573827872 -0.000040701 5.45 1.553476406 1.553587523 -0.000037039 5.50 1.533988634 1.534089565 -0.000033643 5.55 1.515211476 1.515302966 -0.000030497 5.60 1.497114785 1.497197529 -0.000027581 5.65 1.479669267 1.479743911 -0.000024881 5.70 1.462846488 1.462913637 -0.000022383 5.75 1.446618884 1.446679101 -0.000020073 5.80 1.430959762 1.431013572 -0.000017937 5.85 1.415843305 1.415891194 -0.000015963 5.90 1.401244566 1.401286985 -0.000014140 5.95 1.387139465 1.387176836 -0.000012457 6.00 1.373504783 1.373537498 -0.000010905 6.05 1.360318148 1.360346573 -0.000009475 6.10 1.347558025 1.347582500 -0.000008158 6.15 1.335203702 1.335224542 -0.000006947 6.20 1.323235277 1.323252773 -0.000005832 6.25 1.311633640 1.311648063 -0.000004808 6.30 1.300380458 1.300392061 -0.000003867 6.35 1.289458155 1.289467173 -0.000003006 6.40 1.278849892 1.278856545 -0.000002218 6.45 1.268539552 1.268544041 -0.000001496 6.50 1.258511714 1.258514225 -0.000000837 6.55 1.248751638 1.248752344 -0.000000235 6.60 1.239245245 1.239244307 0.000000313 6.65 1.229979093 1.229976660 0.000000811 6.70 1.220940359 1.220936571 0.000001262 6.75 1.212116816 1.212111804 0.000001671 6.80 1.203496818 1.203490698 0.000002040 6.85 1.195069273 1.195062152 0.000002373 6.90 1.186823626 1.186815606 0.000002673 6.95 1.178749842 1.178741016 0.000002942 7.00 1.170838382 1.170828839 0.000003181 7.05 1.163080190 1.163070011 0.000003393 7.10 1.155466668 1.155455927 0.000003580 7.15 1.147989662 1.147978427 0.000003745 7.20 1.140641442 1.140629774 0.000003889 7.25 1.133414683 1.133402640 0.000004014 7.30 1.126302454 1.126290088 0.000004122 7.35 1.119298193 1.119285554 0.000004213 7.40 1.112395702 1.112382837 0.000004288 7.45 1.105589122 1.105576074 0.000004349 7.50 1.098872925 1.098859730 0.000004398 7.55 1.092241891 1.092228583 0.000004436 7.60 1.085691100 1.085677712 0.000004463 7.65 1.079215919 1.079202476 0.000004481 7.70 1.072811980 1.072798512 0.000004489 7.75 1.066475184 1.066461714 0.000004490 7.80 1.060201670 1.060188224 0.000004482 7.85 1.053987823 1.053974419 0.000004468 7.90 1.047830244 1.047816900 0.000004448 7.95 1.041725746 1.041712480 0.000004422 8.00 1.035671354 1.035658176 0.000004393 8.05 1.029664265 1.029651193 0.000004357 8.10 1.023701880 1.023688923 0.000004319 8.15 1.017781762 1.017768929 0.000004277 8.20 1.011901633 1.011888943 0.000004230 8.25 1.006059398 1.006046849 0.000004183 8.30 1.000253075 1.000240682 0.000004131 8.35 0.994480846 0.994468615 0.000004077 8.40 0.988741026 0.988728953 0.000004025 8.45 0.983032019 0.983020123 0.000003965 8.50 0.977352399 0.977340674 0.000003908 8.55 0.971700817 0.971689264 0.000003851 8.60 0.966076021 0.966064661 0.000003787 8.65 0.960476920 0.960465731 0.000003729 8.70 0.954902438 0.954891437 0.000003667 8.75 0.949351631 0.949340828 0.000003601 8.80 0.943823670 0.943813036 0.000003545 8.85 0.938317702 0.938307268 0.000003478 8.90 0.932833047 0.932822807 0.000003413 8.95 0.927369079 0.927359004 0.000003358 9.00 0.921925139 0.921915275 0.000003288 9.05 0.916500779 0.916491099 0.000003227 9.10 0.911095535 0.911086015 0.000003173 9.15 0.905708913 0.905699613 0.000003100 9.20 0.900340663 0.900331535 0.000003043 9.25 0.894990439 0.894981466 0.000002991 9.30 0.889657879 0.889649133 0.000002915 9.35 0.884342894 0.884334305 0.000002863 9.40 0.879045230 0.879036786 0.000002815 9.45 0.873764627 0.873756418 0.000002736 9.50 0.868501142 0.868493075 0.000002689 9.55 0.863254603 0.863246665 0.000002646 9.60 0.858024816 0.858017122 0.000002565 9.65 0.852811968 0.852804407 0.000002520 9.70 0.847615961 0.847608504 0.000002486 9.75 0.842436615 0.842429415 0.000002400 9.80 0.837274229 0.837267163 0.000002355 9.85 0.832128789 0.832121789 0.000002334 9.90 0.827000085 0.826993347 0.000002246 9.95 0.821888496 0.821881913 0.000002194 10.00 0.816794144 0.816787573 0.000002190 ------------------------------------------------------- Mo6+ CORE VALENCE POPULATION 36.000000000 0.000000000 sinth/l J0 TOT 0.00 36.000000000 0.05 35.717055467 0.10 34.899199318 0.15 33.632636921 0.20 32.040809919 0.25 30.260738238 0.30 28.420347265 0.35 26.622012070 0.40 24.934684572 0.45 23.394075362 0.50 22.008473611 0.55 20.767212085 0.60 19.649229307 0.65 18.630113269 0.70 17.686961503 0.75 16.801095527 0.80 15.959055562 0.85 15.152427059 0.90 14.377010227 0.95 13.631726537 1.00 12.917523746 1.05 12.236426537 1.10 11.590795372 1.15 10.982801533 1.20 10.414095696 1.25 9.885633834 1.30 9.397621348 1.35 8.949539489 1.40 8.540223943 1.45 8.167972058 1.50 7.830661402 1.55 7.525867650 1.60 7.250974087 1.65 7.003268278 1.70 6.780023819 1.75 6.578566729 1.80 6.396327158 1.85 6.230877674 1.90 6.079959793 1.95 5.941500508 2.00 5.813620557 2.05 5.694636066 2.10 5.583055032 2.15 5.477569945 2.20 5.377047627 2.25 5.280517221 2.30 5.187157047 2.35 5.096280952 2.40 5.007324578 2.45 4.919831935 2.50 4.833442496 2.55 4.747879029 2.60 4.662936254 2.65 4.578470404 2.70 4.494389720 2.75 4.410645865 2.80 4.327226257 2.85 4.244147250 2.90 4.161448150 2.95 4.079185978 3.00 3.997430935 3.05 3.916262515 3.10 3.835766188 3.15 3.756030607 3.20 3.677145279 3.25 3.599198644 3.30 3.522276526 3.35 3.446460890 3.40 3.371828882 3.45 3.298452104 3.50 3.226396100 3.55 3.155720006 3.60 3.086476356 3.65 3.018711007 3.70 2.952463171 3.75 2.887765521 3.80 2.824644378 3.85 2.763119937 3.90 2.703206548 3.95 2.644913017 4.00 2.588242933 4.05 2.533195010 4.10 2.479763436 4.15 2.427938224 4.20 2.377705561 4.25 2.329048152 4.30 2.281945556 4.35 2.236374508 4.40 2.192309234 4.45 2.149721746 4.50 2.108582126 4.55 2.068858795 4.60 2.030518761 4.65 1.993527856 4.70 1.957850959 4.75 1.923452191 4.80 1.890295113 4.85 1.858342892 4.90 1.827558464 4.95 1.797904678 5.00 1.769344424 5.05 1.741840757 5.10 1.715357001 5.15 1.689856847 5.20 1.665304438 5.25 1.641664439 5.30 1.618902108 5.35 1.596983355 5.40 1.575874787 5.45 1.555543754 5.50 1.535958378 5.55 1.517087587 5.60 1.498901137 5.65 1.481369628 5.70 1.464464524 5.75 1.448158153 5.80 1.432423715 5.85 1.417235279 5.90 1.402567792 5.95 1.388397064 6.00 1.374699770 6.05 1.361453432 6.10 1.348636407 6.15 1.336227879 6.20 1.324207840 6.25 1.312557083 6.30 1.301257177 6.35 1.290290452 6.40 1.279639974 6.45 1.269289533 6.50 1.259223618 6.55 1.249427403 6.60 1.239886727 6.65 1.230588069 6.70 1.221518529 6.75 1.212665803 6.80 1.204018169 6.85 1.195564461 6.90 1.187294061 6.95 1.179196869 7.00 1.171263285 7.05 1.163484193 7.10 1.155850936 7.15 1.148355300 7.20 1.140989500 7.25 1.133746161 7.30 1.126618305 7.35 1.119599325 7.40 1.112682979 7.45 1.105863363 7.50 1.099134904 7.55 1.092492342 7.60 1.085930720 7.65 1.079445366 7.70 1.073031886 7.75 1.066686143 7.80 1.060404251 7.85 1.054182558 7.90 1.048017637 7.95 1.041906275 8.00 1.035845463 8.05 1.029832386 8.10 1.023864412 8.15 1.017939087 8.20 1.012054120 8.25 1.006207378 8.30 1.000396874 8.35 0.994620764 8.40 0.988877336 8.45 0.983165002 8.50 0.977482296 8.55 0.971827864 8.60 0.966200459 8.65 0.960598936 8.70 0.955022243 8.75 0.949469418 8.80 0.943939580 8.85 0.938431928 8.90 0.932945734 8.95 0.927480339 9.00 0.922035151 9.05 0.916609642 9.10 0.911203342 9.15 0.905815834 9.20 0.900446751 9.25 0.895095771 9.30 0.889762617 9.35 0.884447048 9.40 0.879148865 9.45 0.873867904 9.50 0.868604033 9.55 0.863357156 9.60 0.858127204 9.65 0.852914132 9.70 0.847717920 9.75 0.842538567 9.80 0.837376092 9.85 0.832230529 9.90 0.827101934 9.95 0.821990375 10.00 0.816895938