| 查看: 1289 | 回复: 7 | ||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | ||
xzh410512206银虫 (小有名气)
|
[求助]
谁能帮我扫描验证下这三个结构？？困扰很久了 已有1人参与
|
|
|
固定8-7-6-5分别为50°，100°和110°，扫描4-3-2-1这个二面角，算完后8-7-6-5根本就不是最初固定的那个值，固定为其他角度时都好好的，好郁闷呐。。 可以帮我跑跑 验证一下吗？3个输入文件如下： %chk=50.chk %mem=1GB %nprocshared=12 #p opt=modredundant b3lyp/6-31g(d) nosymm Title Card Required 0 1 C C 1 B1 N 2 B2 1 A1 C 3 B3 2 A2 1 20.0 0 C 2 B4 1 A3 3 D2 0 C 5 B5 2 A4 1 D3 0 N 6 B6 5 A5 2 D4 0 C 7 B7 6 A6 5 D5 0 C 7 B8 6 A7 5 D6 0 C 1 B9 2 A8 6 D7 0 C 10 B10 1 A9 2 D8 0 C 11 B11 10 A10 1 D9 0 C 11 B12 10 A11 1 D10 0 S 10 B13 1 A12 2 D11 0 C 10 B14 1 A13 2 D12 0 C 12 B15 11 A14 10 D13 0 S 16 B16 12 A15 11 D14 0 C 5 B17 2 A16 1 D15 0 C 1 B18 2 A17 6 D16 0 O 14 B19 10 A18 1 D17 0 O 14 B20 10 A19 1 D18 0 H 12 B21 11 A20 10 D19 0 H 10 B22 1 A21 19 D20 0 H 1 B23 19 A22 18 D21 0 H 5 B24 2 A23 1 D22 0 O 17 B25 16 A24 12 D23 0 O 17 B26 16 A25 12 D24 0 C 4 B27 3 A26 2 D25 0 C 28 B28 4 A27 3 D26 0 C 29 B29 28 A28 4 D27 0 C 30 B30 29 A29 28 D28 0 C 4 B31 3 A30 2 D29 0 C 32 B32 4 A31 3 D30 0 C 33 B33 32 A32 4 D31 0 C 34 B34 33 A33 32 D32 0 C 31 B35 30 A34 29 D33 0 C 36 B36 31 A35 30 D34 0 C 37 B37 36 A36 31 D35 0 C 38 B38 37 A37 36 D36 0 H 32 B39 4 A38 3 D37 0 H 33 B40 32 A39 4 D38 0 H 34 B41 33 A40 32 D39 0 H 35 B42 34 A41 33 D40 0 H 36 B43 31 A42 30 D41 0 H 37 B44 36 A43 31 D42 0 H 38 B45 37 A44 36 D43 0 H 39 B46 38 A45 37 D44 0 C 29 B47 28 A46 4 D45 0 H 48 B48 29 A47 28 D46 0 H 48 B49 29 A48 28 D47 0 H 48 B50 29 A49 28 D48 0 C 29 B51 28 A50 4 D49 0 H 52 B52 29 A51 28 D50 0 H 52 B53 29 A52 28 D51 0 H 52 B54 29 A53 28 D52 0 C 9 B55 7 A54 6 D53 0 C 56 B56 9 A55 7 D54 0 C 8 B57 7 A56 6 D55 0 C 9 B58 7 A57 6 D56 0 C 59 B59 9 A58 7 D57 0 C 60 B60 59 A59 9 D58 0 C 61 B61 60 A60 59 D59 0 C 8 B62 7 A61 6 D60 0 C 63 B63 8 A62 7 D61 0 C 64 B64 63 A63 8 D62 0 C 65 B65 64 A64 63 D63 0 H 59 B66 9 A65 7 D64 0 H 60 B67 59 A66 9 D65 0 H 61 B68 60 A67 59 D66 0 H 62 B69 61 A68 60 D67 0 H 63 B70 8 A69 7 D68 0 H 64 B71 63 A70 8 D69 0 H 65 B72 64 A71 63 D70 0 H 66 B73 65 A72 64 D71 0 C 57 B74 56 A73 9 D72 0 H 75 B75 57 A74 56 D73 0 H 75 B76 57 A75 56 D74 0 H 75 B77 57 A76 56 D75 0 C 57 B78 56 A77 9 D76 0 H 79 B79 57 A78 56 D77 0 H 79 B80 57 A79 56 D78 0 H 79 B81 57 A80 56 D79 0 H 11 B82 10 A81 1 D80 0 H 13 B83 11 A82 10 D81 0 B1 1.40358388 B2 1.42341373 B3 1.41946960 B4 2.43091880 B5 1.40353546 B6 1.42312707 B7 1.42092975 B8 1.41494657 B9 5.02553374 B10 1.39636833 B11 2.42122270 B12 1.39516004 B13 2.74191803 B14 1.39354202 B15 1.39357124 B16 1.80573517 B17 1.38908596 B18 1.38926012 B19 1.46977117 B20 1.46605248 B21 1.08493637 B22 1.08496888 B23 1.08483355 B24 1.08498328 B25 1.46636669 B26 1.46960115 B27 1.41047384 B28 1.53433593 B29 1.53276220 B30 1.40815172 B31 1.40840900 B32 1.38983496 B33 1.39218106 B34 1.39120010 B35 1.40583987 B36 1.38929408 B37 1.39299930 B38 1.39225821 B39 1.08207689 B40 1.08658116 B41 1.08592232 B42 1.08510649 B43 1.08259937 B44 1.08607148 B45 1.08596949 B46 1.08548402 B47 1.55299413 B48 1.09475529 B49 1.09357864 B50 1.09363873 B51 1.55305267 B52 1.09433233 B53 1.09589157 B54 1.09604954 B55 1.40858817 B56 1.53239295 B57 1.40981672 B58 1.40620161 B59 1.38921604 B60 1.39309637 B61 1.39217734 B62 1.40849960 B63 1.38972002 B64 1.39232468 B65 1.39097908 B66 1.08255125 B67 1.08616766 B68 1.08596664 B69 1.08563837 B70 1.08204482 B71 1.08641543 B72 1.08590681 B73 1.08541857 B74 1.55310774 B75 1.09591363 B76 1.09448923 B77 1.09567517 B78 1.55304745 B79 1.09473601 B80 1.09378800 B81 1.09358551 B82 1.08581826 B83 1.08581121 A1 118.80384089 A2 119.93663424 A3 88.68555631 A4 30.68341276 A5 118.56215928 A6 119.46085594 A7 119.49594378 A8 145.08383914 A9 143.49323057 A10 90.44802148 A11 120.30910650 A12 23.65637706 A13 36.97580275 A14 89.61115887 A15 117.36766858 A16 90.56413450 A17 121.19135721 A18 83.78596064 A19 112.92193314 A20 151.06761480 A21 88.56450454 A22 119.52263488 A23 149.73915685 A24 109.35467429 A25 107.48618015 A26 119.99504657 A27 122.82430615 A28 111.06441386 A29 122.45898624 A30 120.75619137 A31 121.30820541 A32 120.02559932 A33 118.63519564 A34 119.71288017 A35 121.09190404 A36 119.84372249 A37 118.89410841 A38 120.35276297 A39 119.19867952 A40 121.02084075 A41 118.44369942 A42 119.86669286 A43 119.32362313 A44 120.89455698 A45 118.50375434 A46 109.49350997 A47 110.82409686 A48 111.29687340 A49 111.45630081 A50 108.66329921 A51 110.95470490 A52 110.69920234 A53 110.67805319 A54 120.64786010 A55 122.58922185 A56 120.07678673 A57 119.73113231 A58 121.14924668 A59 119.87040252 A60 118.84056326 A61 120.64967435 A62 121.30052185 A63 120.00916531 A64 118.65095086 A65 119.81357228 A66 119.31836998 A67 120.91484058 A68 118.55005268 A69 120.44295602 A70 119.15748392 A71 121.01065407 A72 118.43259548 A73 109.29781450 A74 110.75380446 A75 110.89072075 A76 110.77480614 A77 108.97321082 A78 110.77288595 A79 111.33051337 A80 111.32829002 A81 119.53631913 A82 120.15340816 D2 177.23325996 D3 177.05372267 D4 -179.58446225 D5 50.00000000 D6 -124.77128139 D7 40.61381694 D8 -0.82941403 D9 -37.33024465 D10 -37.33475640 D11 -136.72039785 D12 -65.93679189 D13 -1.28085162 D14 -178.60115429 D15 0.38964067 D16 0.72588521 D17 -75.89353153 D18 163.95518348 D19 176.04372804 D20 -147.61452162 D21 -178.09368162 D22 -175.66055489 D23 102.56537281 D24 -29.29336357 D25 173.63565474 D26 -2.19157467 D27 12.26338546 D28 -9.86891775 D29 -4.93643295 D30 179.16414088 D31 -0.35670885 D32 -0.13613950 D33 176.05087421 D34 3.72371286 D35 -0.90299937 D36 -1.50598946 D37 -0.62622216 D38 179.67851078 D39 -179.75609162 D40 -178.70845068 D41 -176.16784321 D42 179.08454688 D43 179.27534433 D44 -179.00374481 D45 132.72989648 D46 -61.26543350 D47 178.36176895 D48 59.23426971 D49 -108.06501802 D50 59.27935935 D51 -60.62487278 D52 179.52393461 D53 -172.66249875 D54 -2.64796913 D55 174.95251363 D56 8.78622471 D57 -177.75974134 D58 -0.96547422 D59 -1.39854480 D60 -3.62962685 D61 179.34880482 D62 -0.47115847 D63 -0.15217511 D64 2.13825294 D65 178.93331537 D66 179.31574792 D67 -178.98787858 D68 -0.27484911 D69 179.67330258 D70 -179.73257133 D71 -178.73783794 D72 111.82853655 D73 58.09660448 D74 -62.12417594 D75 177.97642484 D76 -128.80242249 D77 60.74821903 D78 -59.60229265 D79 -178.86190628 D80 141.71568627 D81 179.04417220 8 7 6 5 50.0 F * 3 2 * R 4 3 2 1 S 8 10.0 %chk=100.chk %mem=4000MB %nprocshared=8 #p opt=(maxcycles=850,modredundant) b3lyp/6-31g(d) nosymm Title Card Required 0 1 C C 1 B1 N 2 B2 1 A1 C 3 B3 2 A2 1 20.0 0 C 2 B4 1 A3 3 D2 0 C 5 B5 2 A4 1 D3 0 N 6 B6 5 A5 2 D4 0 C 7 B7 6 A6 5 D5 0 C 7 B8 6 A7 5 D6 0 C 1 B9 2 A8 6 D7 0 C 10 B10 1 A9 2 D8 0 C 11 B11 10 A10 1 D9 0 C 11 B12 10 A11 1 D10 0 S 10 B13 1 A12 2 D11 0 C 10 B14 1 A13 2 D12 0 C 12 B15 11 A14 10 D13 0 S 16 B16 12 A15 11 D14 0 C 5 B17 2 A16 1 D15 0 C 1 B18 2 A17 6 D16 0 O 14 B19 10 A18 1 D17 0 O 14 B20 10 A19 1 D18 0 H 12 B21 11 A20 10 D19 0 H 10 B22 1 A21 19 D20 0 H 1 B23 19 A22 18 D21 0 H 5 B24 2 A23 1 D22 0 O 17 B25 16 A24 12 D23 0 O 17 B26 16 A25 12 D24 0 C 4 B27 3 A26 2 D25 0 C 28 B28 4 A27 3 D26 0 C 29 B29 28 A28 4 D27 0 C 30 B30 29 A29 28 D28 0 C 4 B31 3 A30 2 D29 0 C 32 B32 4 A31 3 D30 0 C 33 B33 32 A32 4 D31 0 C 34 B34 33 A33 32 D32 0 C 31 B35 30 A34 29 D33 0 C 36 B36 31 A35 30 D34 0 C 37 B37 36 A36 31 D35 0 C 38 B38 37 A37 36 D36 0 H 32 B39 4 A38 3 D37 0 H 33 B40 32 A39 4 D38 0 H 34 B41 33 A40 32 D39 0 H 35 B42 34 A41 33 D40 0 H 36 B43 31 A42 30 D41 0 H 37 B44 36 A43 31 D42 0 H 38 B45 37 A44 36 D43 0 H 39 B46 38 A45 37 D44 0 C 29 B47 28 A46 4 D45 0 H 48 B48 29 A47 28 D46 0 H 48 B49 29 A48 28 D47 0 H 48 B50 29 A49 28 D48 0 C 29 B51 28 A50 4 D49 0 H 52 B52 29 A51 28 D50 0 H 52 B53 29 A52 28 D51 0 H 52 B54 29 A53 28 D52 0 C 9 B55 7 A54 6 D53 0 C 56 B56 9 A55 7 D54 0 C 8 B57 7 A56 6 D55 0 C 9 B58 7 A57 6 D56 0 C 59 B59 9 A58 7 D57 0 C 60 B60 59 A59 9 D58 0 C 61 B61 60 A60 59 D59 0 C 8 B62 7 A61 6 D60 0 C 63 B63 8 A62 7 D61 0 C 64 B64 63 A63 8 D62 0 C 65 B65 64 A64 63 D63 0 H 59 B66 9 A65 7 D64 0 H 60 B67 59 A66 9 D65 0 H 61 B68 60 A67 59 D66 0 H 62 B69 61 A68 60 D67 0 H 63 B70 8 A69 7 D68 0 H 64 B71 63 A70 8 D69 0 H 65 B72 64 A71 63 D70 0 H 66 B73 65 A72 64 D71 0 C 57 B74 56 A73 9 D72 0 H 75 B75 57 A74 56 D73 0 H 75 B76 57 A75 56 D74 0 H 75 B77 57 A76 56 D75 0 C 57 B78 56 A77 9 D76 0 H 79 B79 57 A78 56 D77 0 H 79 B80 57 A79 56 D78 0 H 79 B81 57 A80 56 D79 0 H 11 B82 10 A81 1 D80 0 H 13 B83 11 A82 10 D81 0 B1 1.40358388 B2 1.42341373 B3 1.41946960 B4 2.43091880 B5 1.40353546 B6 1.42312707 B7 1.42092975 B8 1.41494657 B9 5.02553374 B10 1.39636833 B11 2.42122270 B12 1.39516004 B13 2.74191803 B14 1.39354202 B15 1.39357124 B16 1.80573517 B17 1.38908596 B18 1.38926012 B19 1.46977117 B20 1.46605248 B21 1.08493637 B22 1.08496888 B23 1.08483355 B24 1.08498328 B25 1.46636669 B26 1.46960115 B27 1.41047384 B28 1.53433593 B29 1.53276220 B30 1.40815172 B31 1.40840900 B32 1.38983496 B33 1.39218106 B34 1.39120010 B35 1.40583987 B36 1.38929408 B37 1.39299930 B38 1.39225821 B39 1.08207689 B40 1.08658116 B41 1.08592232 B42 1.08510649 B43 1.08259937 B44 1.08607148 B45 1.08596949 B46 1.08548402 B47 1.55299413 B48 1.09475529 B49 1.09357864 B50 1.09363873 B51 1.55305267 B52 1.09433233 B53 1.09589157 B54 1.09604954 B55 1.40858817 B56 1.53239295 B57 1.40981672 B58 1.40620161 B59 1.38921604 B60 1.39309637 B61 1.39217734 B62 1.40849960 B63 1.38972002 B64 1.39232468 B65 1.39097908 B66 1.08255125 B67 1.08616766 B68 1.08596664 B69 1.08563837 B70 1.08204482 B71 1.08641543 B72 1.08590681 B73 1.08541857 B74 1.55310774 B75 1.09591363 B76 1.09448923 B77 1.09567517 B78 1.55304745 B79 1.09473601 B80 1.09378800 B81 1.09358551 B82 1.08581826 B83 1.08581121 A1 118.80384089 A2 119.93663424 A3 88.68555631 A4 30.68341276 A5 118.56215928 A6 119.46085594 A7 119.49594378 A8 145.08383914 A9 143.49323057 A10 90.44802148 A11 120.30910650 A12 23.65637706 A13 36.97580275 A14 89.61115887 A15 117.36766858 A16 90.56413450 A17 121.19135721 A18 83.78596064 A19 112.92193314 A20 151.06761480 A21 88.56450454 A22 119.52263488 A23 149.73915685 A24 109.35467429 A25 107.48618015 A26 119.99504657 A27 122.82430615 A28 111.06441386 A29 122.45898624 A30 120.75619137 A31 121.30820541 A32 120.02559932 A33 118.63519564 A34 119.71288017 A35 121.09190404 A36 119.84372249 A37 118.89410841 A38 120.35276297 A39 119.19867952 A40 121.02084075 A41 118.44369942 A42 119.86669286 A43 119.32362313 A44 120.89455698 A45 118.50375434 A46 109.49350997 A47 110.82409686 A48 111.29687340 A49 111.45630081 A50 108.66329921 A51 110.95470490 A52 110.69920234 A53 110.67805319 A54 120.64786010 A55 122.58922185 A56 120.07678673 A57 119.73113231 A58 121.14924668 A59 119.87040252 A60 118.84056326 A61 120.64967435 A62 121.30052185 A63 120.00916531 A64 118.65095086 A65 119.81357228 A66 119.31836998 A67 120.91484058 A68 118.55005268 A69 120.44295602 A70 119.15748392 A71 121.01065407 A72 118.43259548 A73 109.29781450 A74 110.75380446 A75 110.89072075 A76 110.77480614 A77 108.97321082 A78 110.77288595 A79 111.33051337 A80 111.32829002 A81 119.53631913 A82 120.15340816 D2 177.23325996 D3 177.05372267 D4 -179.58446225 D5 100.00000000 D6 -74.77128139 D7 40.61381694 D8 -0.82941403 D9 -37.33024465 D10 -37.33475640 D11 -136.72039785 D12 -65.93679189 D13 -1.28085162 D14 -178.60115429 D15 0.38964067 D16 0.72588521 D17 -75.89353153 D18 163.95518348 D19 176.04372804 D20 -147.61452162 D21 -178.09368162 D22 -175.66055489 D23 102.56537281 D24 -29.29336357 D25 173.63565474 D26 -2.19157467 D27 12.26338546 D28 -9.86891775 D29 -4.93643295 D30 179.16414088 D31 -0.35670885 D32 -0.13613950 D33 176.05087421 D34 3.72371286 D35 -0.90299937 D36 -1.50598946 D37 -0.62622216 D38 179.67851078 D39 -179.75609162 D40 -178.70845068 D41 -176.16784321 D42 179.08454688 D43 179.27534433 D44 -179.00374481 D45 132.72989648 D46 -61.26543350 D47 178.36176895 D48 59.23426971 D49 -108.06501802 D50 59.27935935 D51 -60.62487278 D52 179.52393461 D53 -172.66249875 D54 -2.64796913 D55 174.95251363 D56 8.78622471 D57 -177.75974134 D58 -0.96547422 D59 -1.39854480 D60 -3.62962685 D61 179.34880482 D62 -0.47115847 D63 -0.15217511 D64 2.13825294 D65 178.93331537 D66 179.31574792 D67 -178.98787858 D68 -0.27484911 D69 179.67330258 D70 -179.73257133 D71 -178.73783794 D72 111.82853655 D73 58.09660448 D74 -62.12417594 D75 177.97642484 D76 -128.80242249 D77 60.74821903 D78 -59.60229265 D79 -178.86190628 D80 141.71568627 D81 179.04417220 8 7 6 5 100.0 F * 3 2 * R 4 3 2 1 S 14 10.0 %chk=110.chk %mem=4000MB %nprocshared=12 #p opt=modredundant b3lyp/6-31g(d) nosymm Title Card Required 0 1 C C 1 B1 N 2 B2 1 A1 C 3 B3 2 A2 1 70.0 0 C 2 B4 1 A3 3 D2 0 C 5 B5 2 A4 1 D3 0 N 6 B6 5 A5 2 D4 0 C 7 B7 6 A6 5 D5 0 C 7 B8 6 A7 5 D6 0 C 1 B9 2 A8 6 D7 0 C 10 B10 1 A9 2 D8 0 C 11 B11 10 A10 1 D9 0 C 11 B12 10 A11 1 D10 0 S 10 B13 1 A12 2 D11 0 C 10 B14 1 A13 2 D12 0 C 12 B15 11 A14 10 D13 0 S 16 B16 12 A15 11 D14 0 C 5 B17 2 A16 1 D15 0 C 1 B18 2 A17 6 D16 0 O 14 B19 10 A18 1 D17 0 O 14 B20 10 A19 1 D18 0 H 12 B21 11 A20 10 D19 0 H 10 B22 1 A21 19 D20 0 H 1 B23 19 A22 18 D21 0 H 5 B24 2 A23 1 D22 0 O 17 B25 16 A24 12 D23 0 O 17 B26 16 A25 12 D24 0 C 4 B27 3 A26 2 D25 0 C 28 B28 4 A27 3 D26 0 C 29 B29 28 A28 4 D27 0 C 30 B30 29 A29 28 D28 0 C 4 B31 3 A30 2 D29 0 C 32 B32 4 A31 3 D30 0 C 33 B33 32 A32 4 D31 0 C 34 B34 33 A33 32 D32 0 C 31 B35 30 A34 29 D33 0 C 36 B36 31 A35 30 D34 0 C 37 B37 36 A36 31 D35 0 C 38 B38 37 A37 36 D36 0 H 32 B39 4 A38 3 D37 0 H 33 B40 32 A39 4 D38 0 H 34 B41 33 A40 32 D39 0 H 35 B42 34 A41 33 D40 0 H 36 B43 31 A42 30 D41 0 H 37 B44 36 A43 31 D42 0 H 38 B45 37 A44 36 D43 0 H 39 B46 38 A45 37 D44 0 C 29 B47 28 A46 4 D45 0 H 48 B48 29 A47 28 D46 0 H 48 B49 29 A48 28 D47 0 H 48 B50 29 A49 28 D48 0 C 29 B51 28 A50 4 D49 0 H 52 B52 29 A51 28 D50 0 H 52 B53 29 A52 28 D51 0 H 52 B54 29 A53 28 D52 0 C 9 B55 7 A54 6 D53 0 C 56 B56 9 A55 7 D54 0 C 8 B57 7 A56 6 D55 0 C 9 B58 7 A57 6 D56 0 C 59 B59 9 A58 7 D57 0 C 60 B60 59 A59 9 D58 0 C 61 B61 60 A60 59 D59 0 C 8 B62 7 A61 6 D60 0 C 63 B63 8 A62 7 D61 0 C 64 B64 63 A63 8 D62 0 C 65 B65 64 A64 63 D63 0 H 59 B66 9 A65 7 D64 0 H 60 B67 59 A66 9 D65 0 H 61 B68 60 A67 59 D66 0 H 62 B69 61 A68 60 D67 0 H 63 B70 8 A69 7 D68 0 H 64 B71 63 A70 8 D69 0 H 65 B72 64 A71 63 D70 0 H 66 B73 65 A72 64 D71 0 C 57 B74 56 A73 9 D72 0 H 75 B75 57 A74 56 D73 0 H 75 B76 57 A75 56 D74 0 H 75 B77 57 A76 56 D75 0 C 57 B78 56 A77 9 D76 0 H 79 B79 57 A78 56 D77 0 H 79 B80 57 A79 56 D78 0 H 79 B81 57 A80 56 D79 0 H 11 B82 10 A81 1 D80 0 H 13 B83 11 A82 10 D81 0 B1 1.40358388 B2 1.42341373 B3 1.41946960 B4 2.43091880 B5 1.40353546 B6 1.42312707 B7 1.42092975 B8 1.41494657 B9 5.02553374 B10 1.39636833 B11 2.42122270 B12 1.39516004 B13 2.74191803 B14 1.39354202 B15 1.39357124 B16 1.80573517 B17 1.38908596 B18 1.38926012 B19 1.46977117 B20 1.46605248 B21 1.08493637 B22 1.08496888 B23 1.08483355 B24 1.08498328 B25 1.46636669 B26 1.46960115 B27 1.41047384 B28 1.53433593 B29 1.53276220 B30 1.40815172 B31 1.40840900 B32 1.38983496 B33 1.39218106 B34 1.39120010 B35 1.40583987 B36 1.38929408 B37 1.39299930 B38 1.39225821 B39 1.08207689 B40 1.08658116 B41 1.08592232 B42 1.08510649 B43 1.08259937 B44 1.08607148 B45 1.08596949 B46 1.08548402 B47 1.55299413 B48 1.09475529 B49 1.09357864 B50 1.09363873 B51 1.55305267 B52 1.09433233 B53 1.09589157 B54 1.09604954 B55 1.40858817 B56 1.53239295 B57 1.40981672 B58 1.40620161 B59 1.38921604 B60 1.39309637 B61 1.39217734 B62 1.40849960 B63 1.38972002 B64 1.39232468 B65 1.39097908 B66 1.08255125 B67 1.08616766 B68 1.08596664 B69 1.08563837 B70 1.08204482 B71 1.08641543 B72 1.08590681 B73 1.08541857 B74 1.55310774 B75 1.09591363 B76 1.09448923 B77 1.09567517 B78 1.55304745 B79 1.09473601 B80 1.09378800 B81 1.09358551 B82 1.08581826 B83 1.08581121 A1 118.80384089 A2 119.93663424 A3 88.68555631 A4 30.68341276 A5 118.56215928 A6 119.46085594 A7 119.49594378 A8 145.08383914 A9 143.49323057 A10 90.44802148 A11 120.30910650 A12 23.65637706 A13 36.97580275 A14 89.61115887 A15 117.36766858 A16 90.56413450 A17 121.19135721 A18 83.78596064 A19 112.92193314 A20 151.06761480 A21 88.56450454 A22 119.52263488 A23 149.73915685 A24 109.35467429 A25 107.48618015 A26 119.99504657 A27 122.82430615 A28 111.06441386 A29 122.45898624 A30 120.75619137 A31 121.30820541 A32 120.02559932 A33 118.63519564 A34 119.71288017 A35 121.09190404 A36 119.84372249 A37 118.89410841 A38 120.35276297 A39 119.19867952 A40 121.02084075 A41 118.44369942 A42 119.86669286 A43 119.32362313 A44 120.89455698 A45 118.50375434 A46 109.49350997 A47 110.82409686 A48 111.29687340 A49 111.45630081 A50 108.66329921 A51 110.95470490 A52 110.69920234 A53 110.67805319 A54 120.64786010 A55 122.58922185 A56 120.07678673 A57 119.73113231 A58 121.14924668 A59 119.87040252 A60 118.84056326 A61 120.64967435 A62 121.30052185 A63 120.00916531 A64 118.65095086 A65 119.81357228 A66 119.31836998 A67 120.91484058 A68 118.55005268 A69 120.44295602 A70 119.15748392 A71 121.01065407 A72 118.43259548 A73 109.29781450 A74 110.75380446 A75 110.89072075 A76 110.77480614 A77 108.97321082 A78 110.77288595 A79 111.33051337 A80 111.32829002 A81 119.53631913 A82 120.15340810 D2 177.23325996 D3 177.05372267 D4 -179.58446225 D5 110.00000000 D6 -64.77128139 D7 40.61381694 D8 -0.82941403 D9 -37.33024465 D10 -37.33475640 D11 -136.72039785 D12 -65.93679189 D13 -1.28085162 D14 -178.60115429 D15 0.38964067 D16 0.72588521 D17 -75.89353153 D18 163.95518348 D19 176.04372804 D20 -147.61452162 D21 -178.09368162 D22 -175.66055489 D23 102.56537281 D24 -29.29336357 D25 173.63565474 D26 -2.19157467 D27 12.26338546 D28 -9.86891775 D29 -4.93643295 D30 179.16414088 D31 -0.35670885 D32 -0.13613950 D33 176.05087421 D34 3.72371286 D35 -0.90299937 D36 -1.50598946 D37 -0.62622216 D38 179.67851078 D39 -179.75609162 D40 -178.70845068 D41 -176.16784321 D42 179.08454688 D43 179.27534433 D44 -179.00374481 D45 132.72989648 D46 -61.26543350 D47 178.36176895 D48 59.23426971 D49 -108.06501802 D50 59.27935935 D51 -60.62487278 D52 179.52393461 D53 -172.66249875 D54 -2.64796913 D55 174.95251363 D56 8.78622471 D57 -177.75974134 D58 -0.96547422 D59 -1.39854480 D60 -3.62962685 D61 179.34880482 D62 -0.47115847 D63 -0.15217511 D64 2.13825294 D65 178.93331537 D66 179.31574792 D67 -178.98787858 D68 -0.27484911 D69 179.67330258 D70 -179.73257133 D71 -178.73783794 D72 111.82853655 D73 58.09660448 D74 -62.12417594 D75 177.97642484 D76 -128.80242249 D77 60.74821903 D78 -59.60229265 D79 -178.86190628 D80 141.71568627 D81 179.04417220 8 7 6 5 110.0 F * 3 2 * R 4 3 2 1 S 10 10.0 |
回复此楼» 猜你喜欢
请问哪里可以购买环氧化天然胶乳？
已经有0人回复
-
推荐几个靠谱的文献网站？
已经有1人回复
-
物理化学论文润色/翻译怎么收费?
已经有181人回复
-
夏威夷大学生物胶体与界面实验室诚招全奖博士生和博士后
已经有1人回复
-
求助立方晶体In(OH)3的CIF卡片
已经有2人回复
-
七嗪类物质合成求助
已经有0人回复
-
[电子教材]天津大学物理化学（第七版）上、下册
已经有1人回复
-
阴离子交换膜电解二氧化碳还原
已经有0人回复
qchem
铁杆木虫 (著名写手)
- 应助: 280 (大学生)
- 金币: 6871.6
- 散金: 1411
- 红花: 43
- 帖子: 2586
- 在线: 669.2小时
- 虫号: 183011
- 注册: 2006-02-12
- 专业: 理论和计算化学
5楼2015-09-15 14:25:38
qchem
铁杆木虫 (著名写手)
- 应助: 280 (大学生)
- 金币: 6871.6
- 散金: 1411
- 红花: 43
- 帖子: 2586
- 在线: 669.2小时
- 虫号: 183011
- 注册: 2006-02-12
- 专业: 理论和计算化学
2楼2015-09-15 13:06:33
xzh410512206
银虫 (小有名气)
- 应助: 1 (幼儿园)
- 金币: 457.2
- 散金: 10
- 帖子: 127
- 在线: 75.4小时
- 虫号: 2630841
- 注册: 2013-09-02
- 专业: 应用有机化学
3楼2015-09-15 14:23:09
qchem
铁杆木虫 (著名写手)
- 应助: 280 (大学生)
- 金币: 6871.6
- 散金: 1411
- 红花: 43
- 帖子: 2586
- 在线: 669.2小时
- 虫号: 183011
- 注册: 2006-02-12
- 专业: 理论和计算化学
4楼2015-09-15 14:25:01