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{"sheet":"Input","index":0,"n_rows":15,"n_cols":10,"rows_kept":15,"cut":false,"hidden":false,"merged":[[3,1,3,12]]}
["単純ヒュッケル分子軌道法計算プログラム（永年行列を自動作成する版） 　　　 "]
[null,null,null,null,null,null,null,null,null,"Written by H. KIHARA"]
[]
["化合物名","Butadiene"]
["原子数",4]
["環状か否か","鎖状",{"$f":"IF(B6=\"環状\",1,0)","v":0}]
["電荷","中性",{"$f":"IF(B7=\"陽イオン\",1,IF(B7=\"陰イオン\",-1,0))","v":0}]
[]
[]
[]
[]
[]
[]
[]
["※","計算を実行する前に、Resultシートをクリアしてください"]

{"sheet":"Result","index":1,"n_rows":32,"n_cols":11,"rows_kept":32,"cut":false,"hidden":false,"merged":[]}
["化合物名","Butadiene"]
["原子数",10]
["結合数",9]
["π電子数",10]
[]
["--  Eigen Values and Eigen vectors --"]
[null,1,2,3,4,5,6,7,8,9,10]
[null,1.9189859472289754,1.6825070656623562,1.3097214678905702,0.83083002600378941,0.28462967654657051,-0.28462967654656463,-0.83083002600383682,-1.3097214678905706,-1.6825070656623615,-1.9189859472289283]
[1,-0.12013121528024967,-0.23053004081597814,0.32225270138248047,0.38786836890972348,0.4220612808919843,-0.42206127110984204,-0.38786841296065172,-0.32225270154090302,-0.23053002228063363,0.12013107113859194]
[2,-0.23053006126276154,-0.38786838046210276,0.42206127945747018,0.32225267232450983,0.12013116587346487,0.1201311840646169,0.32225275330412206,0.42206128169034068,0.38786838858090106,-0.23052994183168052]
[3,-0.32225268676125407,-0.42206125966903085,0.23053002061768127,-0.12013120525489523,-0.38786838609459251,0.38786840783519322,0.12013109196533099,-0.2305300194752965,-0.42206128010644572,0.32225273008986921]
[4,-0.38786833076232102,-0.32225271393263794,-0.120131166585976,-0.42206133256528205,-0.23053001906483134,-0.23053000052927952,-0.42206118993718889,-0.12013116615993392,0.3222526967159583,-0.38786848829687176]
[5,-0.4220612504149493,-0.12013118247134472,-0.38786838479392349,-0.23053007626230113,0.32225270123606642,-0.32225269510863574,0.23052991765506639,0.38786838600202256,-0.12013116502950001,0.42206133718705369]
[6,-0.4220613114900707,0.12013118312516166,-0.38786838690107811,0.23052996583324123,0.32225270129936795,0.3222526929821814,0.23053012281827995,-0.38786838585880662,-0.12013116390379325,-0.42206122427284753]
[7,-0.3878684413471204,0.32225271282594159,-0.12013116630028058,0.42206123160544656,-0.23053001924175373,0.23052999898482099,-0.42206137777512959,0.12013116606861481,0.32225269779111437,0.38786828413091723]
[8,-0.32225271577476411,0.42206126149426304,0.23053001913752155,0.12013112218611474,-0.38786838603578799,-0.38786840942717304,0.12013124741352563,0.23053001894954461,-0.4220612788171626,-0.32225267298202548]
[9,-0.23052997703245445,0.38786837904163313,0.42206128110310381,-0.32225273101253621,0.120131165875674,-0.1201311853592365,0.32225264222280608,-0.42206128056182618,0.38786839082238983,0.23053009629746277]
[10,-0.12013111649315378,0.23053004179395675,0.32225270195395461,-0.38786839915186366,0.4220612809949556,0.42206127079533207,-0.38786835500270694,0.32225270057730865,-0.230530021904611,-0.1201312600518374]
[]
[]
["--  Bond Order Matrix --"]
[null,1,2,3,4,5,6,7,8,9,10]
[1,1.0000000171610084]
[2,0.85762777917261379,0.99999999031957942]
[3,1.142028154346459E-8,0.49996652194016428,0.9999999657037244]
[4,-0.35766120697185178,4.3400017995709928E-9,0.74685240155125776,1.0000000179348409]
[5,1.1485684846734758E-8,-0.11077534813121892,8.2915301742998672E-9,0.54404156725668706,1.00000000708377]
[6,0.24688585195418444,-9.6605458565845277E-9,-0.31358622381892193,-1.514561706738725E-8,0.72969764281753768,1.0000000120296582]
[7,-2.0791652758866638E-8,4.4075007519993534E-2,6.4968538095595526E-9,-0.12793013066671755,-1.5969275568396345E-8,0.54404156851474483,1.0000000176585977]
[8,-0.20281086691811889,1.7844985113688852E-8,0.22973114853500268,1.5435736263523731E-9,-0.31358622460334545,8.4700161627400969E-9,0.7468524017931949,0.99999996481117592]
[9,-1.2755668752865567E-8,-1.7154745379174878E-2,2.2427206811329449E-8,4.4075005264200828E-2,-9.3529082944381037E-9,-0.1107753498319399,3.5432056679261066E-9,0.49996652020656618,0.9999999888740958]
[10,0.18565608469334954,-1.3998769858587616E-8,-0.20281086474828927,-2.1507601756165441E-8,0.24688585449320913,1.3346593190089731E-8,-0.35766120427502196,1.2842126425748231E-8,0.85762778007949514,1.0000000184235434]

{"sheet":"使い方","index":2,"n_rows":16,"n_cols":2,"rows_kept":16,"cut":false,"hidden":false,"merged":[]}
[]
["Excel版Huckel MO プログラム（永年行列を自動作成する版）の使い方"]
[]
[null,"奇数電子系およびHOMOの二重縮退に対応しています。"]
[]
["1．「結果シートのクリア」ボタンをクリックして、Resultワークシートをクリアしてください。"]
[]
["2．Inputワークシートのデータ入力欄にデータを入力してください。"]
["a.","化合物名を入力してください"]
["b.","原子数を選択してください"]
["c.","環状か否かを選択してください"]
["d.","電荷を選択してください"]
[]
[]
["3．「HMO計算実行」ボタンをクリックしてください。"]
["　　計算結果がResultシートに出力されます。"]