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[交流]
【求助】求C20和C36結(jié)構(gòu)參數(shù) 已有3人參與
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| 如題，想要C20和C36的結(jié)構(gòu)參數(shù)，希望高手幫忙 |
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bay__gulf
金蟲(chóng) (著名寫手)
劉蘇州
- 應(yīng)助: 9 (幼兒園)
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- 帖子: 1344
- 在線: 271小時(shí)
- 蟲(chóng)號(hào): 592012
- 注冊(cè): 2008-09-03
- 專業(yè): 理論和計(jì)算化學(xué)
- 管轄: 分子模擬
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gavinliu7390(金幣+1):謝謝交流！ 2010-04-25 12:32
aylayl08(金幣+2):謝謝提供信息 2010-04-25 21:01
heyo_123(金幣+1): 2010-04-26 17:27
gavinliu7390(金幣+1):謝謝交流！ 2010-04-25 12:32
aylayl08(金幣+2):謝謝提供信息 2010-04-25 21:01
heyo_123(金幣+1): 2010-04-26 17:27
|
:::::::::::::: c36_001.gjf :::::::::::::: # generated by bay__gulf618 0 1 C 0 2.139 1.088 0.918 C 0 1.996 1.686 -0.356 C 0 0.796 2.325 -0.750 C 0 0.425 1.704 -1.966 C 0 -0.852 1.123 -2.148 C 0 -0.600 -0.208 -2.559 C 0 -1.157 -1.317 -1.879 C 0 -0.055 -2.138 -1.542 C 0 0.186 -2.554 -0.210 C 0 1.516 -2.157 0.069 C 0 1.834 -1.352 1.188 C 0 2.541 -0.244 0.661 C 0 1.157 1.317 1.879 C 0 0.600 0.208 2.559 C 0 0.852 -1.123 2.148 C 0 -0.425 -1.704 1.966 C 0 -0.796 -2.325 0.750 C 0 -1.996 -1.686 0.356 C 0 -2.139 -1.088 -0.918 C 0 -2.541 0.244 -0.661 C 0 -1.834 1.352 -1.188 C 0 -1.516 2.157 -0.069 C 0 -0.186 2.554 0.210 C 0 0.055 2.138 1.542 C 0 -1.104 1.584 2.063 C 0 -0.768 0.393 2.691 C 0 -1.400 -0.786 2.325 C 0 -2.368 -0.775 1.332 C 0 -2.704 0.416 0.705 C 0 -2.072 1.595 1.070 C 0 2.368 0.775 -1.332 C 0 1.400 0.786 -2.325 C 0 0.768 -0.393 -2.691 C 0 1.104 -1.584 -2.063 C 0 2.072 -1.595 -1.070 C 0 2.704 -0.416 -0.705 :::::::::::::: c36_002.gjf :::::::::::::: # generated by bay__gulf618 0 1 C 0 -0.001 -1.000 -2.253 C 0 0.859 0.128 -2.388 C 0 1.947 0.253 -1.469 C 0 1.832 1.554 -0.911 C 0 1.671 1.738 0.477 C 0 0.340 2.277 0.640 C 0 -0.590 1.589 1.520 C 0 -1.856 1.230 0.905 C 0 -2.273 -0.160 0.912 C 0 -2.659 -0.464 -0.394 C 0 -1.916 -1.410 -1.117 C 0 -1.390 -0.762 -2.232 C 0 0.273 -1.962 -1.238 C 0 -0.956 -2.168 -0.501 C 0 -0.908 -2.198 0.908 C 0 -1.538 -1.083 1.619 C 0 -0.611 -0.649 2.545 C 0 -0.022 0.652 2.421 C 0 1.381 0.387 2.417 C 0 2.156 0.784 1.320 C 0 2.639 -0.438 0.732 C 0 2.298 -0.766 -0.599 C 0 1.483 -1.950 -0.513 C 0 1.492 -2.344 0.834 C 0 0.284 -2.448 1.547 C 0 0.386 -1.577 2.628 C 0 1.578 -0.966 2.603 C 0 2.281 -1.453 1.542 C 0 0.259 1.416 -2.489 C 0 0.861 2.202 -1.545 C 0 -0.070 2.685 -0.644 C 0 -1.298 2.381 -1.155 C 0 -2.211 1.723 -0.373 C 0 -2.684 0.669 -1.121 C 0 -1.934 0.527 -2.279 C 0 -1.102 1.603 -2.349 :::::::::::::: c36_003.gjf :::::::::::::: # generated by bay__gulf618 0 1 C 0 0.646 -2.351 -1.028 C 0 -0.402 -2.529 -0.077 C 0 -1.553 -1.662 -0.179 C 0 -1.932 -0.964 1.042 C 0 -2.209 0.453 0.994 C 0 -1.332 1.036 1.938 C 0 -0.303 1.914 1.523 C 0 0.930 1.229 1.836 C 0 1.903 0.986 0.780 C 0 2.436 -0.355 0.710 C 0 2.378 -1.025 -0.548 C 0 1.829 -2.267 -0.335 C 0 0.623 -1.344 -1.957 C 0 1.764 -0.470 -1.640 C 0 1.585 0.891 -1.714 C 0 1.625 1.645 -0.464 C 0 0.575 2.577 -0.584 C 0 -0.482 2.585 0.349 C 0 -1.664 2.323 -0.419 C 0 -2.399 1.116 -0.183 C 0 -2.295 0.378 -1.380 C 0 -1.688 -0.893 -1.383 C 0 -0.569 -0.759 -2.312 C 0 -0.566 0.549 -2.782 C 0 0.537 1.393 -2.476 C 0 0.024 2.488 -1.836 C 0 -1.328 2.361 -1.735 C 0 -1.684 1.180 -2.310 C 0 -1.176 -1.169 2.218 C 0 -0.799 0.075 2.670 C 0 0.574 0.172 2.704 C 0 1.061 -1.091 2.558 C 0 2.040 -1.353 1.658 C 0 1.630 -2.470 0.946 C 0 0.281 -2.701 1.170 C 0 -0.062 -1.951 2.246 :::::::::::::: c36_004.gjf :::::::::::::: # generated by bay__gulf618 0 1 C 0 -0.602 -2.172 0.860 C 0 -0.850 -1.225 1.896 C 0 -1.771 -0.150 1.629 C 0 -1.039 1.060 1.902 C 0 -0.948 2.040 0.871 C 0 0.355 2.359 0.347 C 0 0.261 2.144 -1.074 C 0 1.191 1.252 -1.683 C 0 0.680 0.062 -2.312 C 0 1.379 -1.032 -1.688 C 0 0.608 -2.067 -1.084 C 0 0.736 -2.271 0.336 C 0 -1.470 -2.203 -0.202 C 0 -0.726 -2.139 -1.397 C 0 -1.358 -1.236 -2.239 C 0 -0.684 -0.050 -2.627 C 0 -1.543 1.008 -2.233 C 0 -1.067 1.998 -1.387 C 0 -1.811 1.934 -0.192 C 0 -2.731 0.906 -0.323 C 0 -2.652 -0.220 0.538 C 0 -2.547 -1.338 -0.328 C 0 -2.541 -0.873 -1.627 C 0 -2.650 0.454 -1.624 C 0 0.231 -0.694 2.554 C 0 0.116 0.710 2.557 C 0 1.358 1.236 2.238 C 0 1.515 1.994 1.049 C 0 2.546 1.339 0.328 C 0 2.306 0.899 -0.965 C 0 2.422 -0.505 -0.968 C 0 2.731 -0.906 0.323 C 0 1.821 -1.724 1.040 C 0 1.543 -1.008 2.233 C 0 2.244 0.179 2.190 C 0 2.947 0.240 1.060 :::::::::::::: c36_005.gjf :::::::::::::: # generated by bay__gulf618 0 1 C 0 2.046 -1.218 0.516 C 0 2.090 0.220 0.726 C 0 1.142 0.756 1.752 C 0 0.425 1.964 1.378 C 0 -0.995 1.955 1.456 C 0 -1.495 2.160 0.172 C 0 -2.215 0.994 -0.208 C 0 -1.744 0.239 -1.358 C 0 -1.487 -1.215 -1.120 C 0 -0.256 -1.740 -1.687 C 0 0.649 -2.415 -0.822 C 0 1.842 -1.699 -0.806 C 0 1.236 -2.022 1.292 C 0 0.342 -2.744 0.418 C 0 -0.912 -2.607 0.888 C 0 -1.863 -1.793 0.166 C 0 -2.410 -0.972 1.168 C 0 -2.485 0.363 0.989 C 0 -1.675 0.973 2.017 C 0 -1.053 -0.004 2.703 C 0 0.372 -0.187 2.557 C 0 0.497 -1.568 2.326 C 0 -0.793 -2.106 2.164 C 0 -1.680 -1.179 2.353 C 0 0.690 2.603 0.185 C 0 -0.539 2.684 -0.569 C 0 -0.301 2.240 -1.818 C 0 -0.849 0.974 -2.246 C 0 0.257 0.322 -2.819 C 0 0.559 -0.945 -2.466 C 0 1.872 -0.914 -1.866 C 0 2.266 0.370 -1.773 C 0 2.339 1.006 -0.477 C 0 1.656 2.218 -0.675 C 0 1.068 2.189 -1.954 C 0 1.405 1.096 -2.564 :::::::::::::: c36_006.gjf :::::::::::::: # generated by bay__gulf618 0 1 C 0 -1.096 -0.348 -2.301 C 0 -1.228 0.977 -1.810 C 0 -0.082 1.843 -1.720 C 0 -0.274 2.657 -0.600 C 0 0.729 2.863 0.355 C 0 0.192 2.509 1.571 C 0 0.946 1.523 2.161 C 0 0.104 0.464 2.482 C 0 0.533 -0.861 2.216 C 0 -0.412 -1.804 1.883 C 0 0.051 -2.606 0.838 C 0 -1.010 -2.799 -0.056 C 0 -0.851 -2.431 -1.372 C 0 -1.769 -1.387 -1.651 C 0 0.209 -0.827 -2.517 C 0 0.368 -2.036 -1.832 C 0 1.495 -1.910 -0.978 C 0 1.296 -2.122 0.425 C 0 1.665 -1.077 1.344 C 0 2.410 0.047 0.900 C 0 2.053 1.322 1.348 C 0 1.920 2.186 0.231 C 0 2.179 1.451 -0.886 C 0 1.222 1.286 -1.921 C 0 1.304 -0.050 -2.289 C 0 2.126 -0.738 -1.370 C 0 2.606 0.181 -0.487 C 0 -2.024 1.203 -0.625 C 0 -1.419 2.225 0.071 C 0 -1.092 2.091 1.429 C 0 -1.238 0.857 2.056 C 0 -2.074 -0.096 1.477 C 0 -1.736 -1.442 1.587 C 0 -2.073 -2.077 0.436 C 0 -2.506 -1.164 -0.497 C 0 -2.524 0.092 0.100 :::::::::::::: c36_007.gjf :::::::::::::: # generated by bay__gulf618 0 1 C 0 -1.528 2.078 -1.317 C 0 -0.685 1.248 -2.129 C 0 -0.873 -0.173 -2.161 C 0 0.321 -0.993 -2.173 C 0 0.328 -2.271 -1.564 C 0 1.496 -2.429 -0.874 C 0 1.237 -2.723 0.461 C 0 1.910 -1.781 1.205 C 0 1.225 -0.976 2.103 C 0 1.590 0.337 1.885 C 0 0.502 1.186 2.072 C 0 0.396 2.335 1.262 C 0 -0.869 2.700 0.759 C 0 -0.728 2.940 -0.603 C 0 -2.378 1.504 -0.414 C 0 -1.934 1.845 0.900 C 0 -1.865 0.671 1.654 C 0 -0.638 0.325 2.286 C 0 -0.170 -1.035 2.259 C 0 -0.867 -2.025 1.488 C 0 -0.131 -2.825 0.585 C 0 -0.688 -2.639 -0.707 C 0 -1.780 -1.868 -0.597 C 0 -1.966 -0.689 -1.334 C 0 -2.613 0.185 -0.441 C 0 -2.459 -0.321 0.861 C 0 -1.975 -1.581 0.771 C 0 1.612 -0.412 -1.834 C 0 2.258 -1.316 -0.978 C 0 2.593 -0.923 0.323 C 0 2.425 0.390 0.728 C 0 2.119 1.366 -0.215 C 0 1.287 2.419 0.139 C 0 0.535 2.755 -0.952 C 0 0.628 1.758 -1.894 C 0 1.683 0.939 -1.551 :::::::::::::: c36_008.gjf :::::::::::::: # generated by bay__gulf618 0 1 C 0 -0.436 2.672 0.435 C 0 -0.967 2.039 1.537 C 0 -0.171 1.262 2.408 C 0 -0.893 0.060 2.580 C 0 -0.291 -1.174 2.461 C 0 -0.977 -1.914 1.500 C 0 -0.043 -2.528 0.634 C 0 -0.313 -2.554 -0.721 C 0 0.698 -2.095 -1.623 C 0 0.085 -1.361 -2.590 C 0 0.624 -0.114 -2.666 C 0 -0.440 0.828 -2.502 C 0 -0.211 1.946 -1.722 C 0 -1.134 2.257 -0.697 C 0 0.906 2.582 0.170 C 0 1.063 2.111 -1.132 C 0 2.040 1.086 -1.132 C 0 1.770 -0.085 -1.855 C 0 1.818 -1.376 -1.175 C 0 2.134 -1.425 0.191 C 0 1.220 -2.060 1.065 C 0 1.050 -1.263 2.195 C 0 1.804 -0.120 2.046 C 0 1.231 1.168 2.131 C 0 1.730 1.859 1.003 C 0 2.460 0.976 0.204 C 0 2.506 -0.238 0.843 C 0 -2.160 1.366 -0.300 C 0 -2.052 1.277 1.097 C 0 -2.007 0.063 1.736 C 0 -2.065 -1.145 1.022 C 0 -2.288 -1.102 -0.362 C 0 -1.523 -1.947 -1.183 C 0 -1.234 -1.273 -2.329 C 0 -1.597 0.034 -2.226 C 0 -2.336 0.189 -1.042 :::::::::::::: c36_009.gjf :::::::::::::: # generated by bay__gulf618 0 1 C 0 -1.143 1.191 2.229 C 0 0.176 0.940 2.585 C 0 1.240 1.345 1.785 C 0 2.023 0.146 1.503 C 0 2.599 -0.037 0.243 C 0 2.281 -1.229 -0.456 C 0 1.960 -0.899 -1.777 C 0 0.788 -1.541 -2.098 C 0 -0.372 -0.821 -2.491 C 0 -1.413 -1.392 -1.760 C 0 -2.333 -0.639 -1.079 C 0 -2.455 -1.152 0.211 C 0 -2.575 -0.094 1.081 C 0 -1.824 -0.042 2.214 C 0 -1.448 1.896 1.059 C 0 -2.371 1.083 0.354 C 0 -2.227 0.762 -1.015 C 0 -1.209 1.385 -1.749 C 0 -0.287 0.598 -2.550 C 0 0.983 1.190 -2.378 C 0 2.075 0.448 -1.929 C 0 2.494 0.991 -0.699 C 0 1.713 2.113 -0.446 C 0 0.981 2.244 0.730 C 0 -0.404 2.470 0.330 C 0 -0.422 2.351 -1.076 C 0 0.847 2.232 -1.508 C 0 1.350 -2.178 0.022 C 0 0.458 -2.390 -1.044 C 0 -0.898 -2.343 -0.857 C 0 -1.476 -2.164 0.399 C 0 -0.616 -2.056 1.528 C 0 -0.896 -1.049 2.477 C 0 0.276 -0.419 2.779 C 0 1.304 -0.926 2.075 C 0 0.820 -2.014 1.308 :::::::::::::: c36_010.gjf :::::::::::::: # generated by bay__gulf618 0 1 C 0 1.963 -1.525 0.057 C 0 0.894 -2.258 -0.451 C 0 0.271 -1.908 -1.697 C 0 -1.125 -2.108 -1.512 C 0 -2.044 -1.097 -1.780 C 0 -2.634 -0.725 -0.547 C 0 -2.505 0.662 -0.387 C 0 -1.931 1.143 0.819 C 0 -0.892 2.144 0.778 C 0 -0.063 1.919 1.857 C 0 1.325 1.875 1.742 C 0 1.745 0.753 2.413 C 0 2.521 0.017 1.596 C 0 1.986 -1.225 1.437 C 0 2.385 -0.325 -0.622 C 0 2.639 0.630 0.386 C 0 1.913 1.865 0.458 C 0 1.133 2.200 -0.631 C 0 -0.292 2.458 -0.471 C 0 -0.912 2.010 -1.628 C 0 -1.980 1.133 -1.599 C 0 -1.651 0.022 -2.413 C 0 -0.323 0.173 -2.804 C 0 0.686 -0.729 -2.365 C 0 1.716 0.079 -1.775 C 0 1.237 1.420 -1.799 C 0 0.052 1.423 -2.424 C 0 -1.569 0.220 1.868 C 0 -0.475 0.750 2.519 C 0 0.666 -0.001 2.804 C 0 0.803 -1.290 2.244 C 0 -0.307 -1.893 1.687 C 0 -0.163 -2.559 0.454 C 0 -1.319 -2.474 -0.217 C 0 -2.184 -1.606 0.419 C 0 -1.569 -1.172 1.585 :::::::::::::: c36_011.gjf :::::::::::::: # generated by bay__gulf618 0 1 C 0 0.129 2.162 -1.500 C 0 -0.974 2.371 -0.652 C 0 -0.746 2.428 0.739 C 0 -1.537 1.603 1.587 C 0 -0.712 0.926 2.467 C 0 -0.998 -0.467 2.405 C 0 0.080 -1.365 2.264 C 0 0.017 -2.326 1.237 C 0 1.249 -2.373 0.584 C 0 1.028 -2.428 -0.762 C 0 1.614 -1.507 -1.604 C 0 0.635 -1.022 -2.450 C 0 0.834 0.335 -2.594 C 0 -0.210 1.204 -2.458 C 0 1.431 1.877 -1.020 C 0 1.855 0.724 -1.725 C 0 2.374 -0.419 -1.088 C 0 2.603 -0.363 0.302 C 0 2.062 -1.396 1.118 C 0 1.398 -0.832 2.192 C 0 1.615 0.529 2.156 C 0 0.571 1.398 2.292 C 0 0.574 2.272 1.203 C 0 1.657 1.933 0.356 C 0 2.299 0.834 0.978 C 0 -1.011 -2.349 0.262 C 0 -0.349 -2.417 -0.988 C 0 -0.630 -1.542 -2.055 C 0 -1.708 -0.644 -1.914 C 0 -1.475 0.737 -2.175 C 0 -1.984 1.492 -1.134 C 0 -2.654 0.640 -0.282 C 0 -2.433 0.695 1.064 C 0 -2.079 -0.579 1.510 C 0 -2.077 -1.460 0.401 C 0 -2.445 -0.670 -0.715 :::::::::::::: c36_012.gjf :::::::::::::: # generated by bay__gulf618 0 1 C 0 2.023 0.106 1.189 C 0 1.376 1.256 1.431 C 0 0.336 1.285 2.322 C 0 -0.454 2.346 2.038 C 0 -1.741 1.999 2.120 C 0 -2.327 2.291 0.927 C 0 -2.879 1.168 0.458 C 0 -2.400 0.891 -0.776 C 0 -2.139 -0.451 -0.860 C 0 -1.260 -0.911 -1.761 C 0 -0.610 -2.097 -1.545 C 0 0.534 -2.108 -2.266 C 0 1.535 -2.608 -1.537 C 0 2.533 -1.682 -1.510 C 0 2.798 -1.406 -0.231 C 0 2.674 -0.079 -0.001 C 0 1.363 -1.150 1.503 C 0 1.887 -2.074 0.610 C 0 1.054 -2.797 -0.223 C 0 -0.323 -2.497 -0.195 C 0 -0.923 -1.726 0.852 C 0 -2.071 -0.947 0.505 C 0 -2.559 0.083 1.296 C 0 -1.794 0.602 2.324 C 0 -0.481 0.114 2.476 C 0 -0.025 -1.084 1.839 C 0 0.986 2.091 0.308 C 0 -0.147 2.771 0.731 C 0 -1.326 2.688 0.013 C 0 -1.356 1.824 -1.100 C 0 -0.169 1.289 -1.693 C 0 -0.278 0.006 -2.315 C 0 0.819 -0.780 -2.638 C 0 2.066 -0.493 -2.114 C 0 2.160 0.559 -1.182 C 0 1.117 1.521 -0.997 :::::::::::::: c36_013.gjf :::::::::::::: # generated by bay__gulf618 0 1 C 0 2.081 1.480 0.216 C 0 1.057 2.416 0.592 C 0 0.259 2.179 1.682 C 0 -1.055 1.989 1.207 C 0 -1.557 0.786 1.748 C 0 -2.148 -0.184 0.858 C 0 -1.680 -1.563 1.039 C 0 -1.322 -2.304 -0.102 C 0 0.037 -2.658 0.003 C 0 0.721 -2.142 -1.113 C 0 1.797 -1.171 -0.885 C 0 1.760 -0.004 -1.732 C 0 1.900 1.271 -1.142 C 0 0.847 2.092 -1.596 C 0 0.254 2.646 -0.491 C 0 -1.099 2.311 -0.140 C 0 2.301 0.382 1.049 C 0 2.179 -0.957 0.500 C 0 1.554 -1.712 1.527 C 0 0.423 -2.441 1.256 C 0 -0.664 -1.845 1.964 C 0 -0.144 -0.906 2.791 C 0 -0.582 0.387 2.704 C 0 0.554 1.205 2.553 C 0 1.655 0.366 2.318 C 0 1.242 -0.883 2.562 C 0 -1.816 1.490 -1.012 C 0 -2.365 0.240 -0.515 C 0 -2.175 -0.684 -1.575 C 0 -1.542 -1.880 -1.343 C 0 -0.296 -1.860 -2.038 C 0 -0.286 -0.757 -2.824 C 0 0.723 0.157 -2.693 C 0 0.125 1.417 -2.501 C 0 -1.247 1.210 -2.286 C 0 -1.490 -0.073 -2.581 :::::::::::::: c36_014.gjf :::::::::::::: # generated by bay__gulf618 0 1 C 0 -0.241 -0.185 2.712 C 0 0.148 1.114 2.691 C 0 -0.661 1.853 1.891 C 0 0.165 2.536 0.947 C 0 -0.290 2.676 -0.331 C 0 0.562 2.272 -1.404 C 0 -0.216 1.702 -2.358 C 0 0.234 0.463 -2.679 C 0 -0.856 -0.449 -2.534 C 0 -0.600 -1.691 -2.034 C 0 -1.386 -2.156 -0.936 C 0 -0.570 -2.858 -0.110 C 0 -0.639 -2.386 1.160 C 0 0.691 -2.088 1.588 C 0 0.890 -0.986 2.365 C 0 1.890 -0.046 1.967 C 0 1.424 1.197 2.245 C 0 1.470 1.992 1.147 C 0 -1.464 -0.285 2.006 C 0 -1.669 -1.415 1.209 C 0 -2.150 -1.267 -0.142 C 0 -2.413 0.006 -0.655 C 0 -1.897 0.324 -1.935 C 0 -1.492 1.619 -1.912 C 0 -1.570 2.132 -0.659 C 0 -2.202 1.172 0.167 C 0 -1.735 1.029 1.477 C 0 2.143 1.282 0.123 C 0 1.676 1.426 -1.187 C 0 1.465 0.260 -2.009 C 0 1.727 -1.014 -1.496 C 0 0.745 -2.017 -1.680 C 0 0.706 -2.774 -0.556 C 0 1.492 -2.247 0.416 C 0 2.209 -1.162 -0.145 C 0 2.413 -0.032 0.652 :::::::::::::: c36_015.gjf :::::::::::::: # generated by bay__gulf618 0 1 C 0 0.540 -0.922 2.730 C 0 0.553 -1.923 1.766 C 0 1.330 -1.865 0.648 C 0 0.510 -2.216 -0.479 C 0 0.855 -1.802 -1.759 C 0 -0.146 -1.210 -2.555 C 0 0.428 -0.144 -3.234 C 0 -0.276 0.968 -2.938 C 0 0.523 1.849 -2.205 C 0 -0.166 2.179 -1.030 C 0 0.475 2.180 0.265 C 0 -0.348 2.034 1.401 C 0 0.062 1.272 2.528 C 0 -1.038 0.597 3.038 C 0 -0.760 -0.721 3.098 C 0 -1.595 -1.404 2.199 C 0 -0.783 -2.159 1.385 C 0 -0.836 -2.135 -0.008 C 0 1.112 0.341 2.391 C 0 1.909 0.420 1.257 C 0 1.739 1.465 0.298 C 0 2.313 1.023 -0.893 C 0 1.782 1.265 -2.139 C 0 1.693 0.029 -2.798 C 0 2.001 -0.964 -1.913 C 0 2.527 -0.365 -0.775 C 0 2.202 -0.758 0.488 C 0 -1.754 -1.229 -0.676 C 0 -1.354 -0.770 -1.948 C 0 -1.360 0.641 -2.200 C 0 -1.454 1.514 -1.134 C 0 -2.103 1.127 -0.010 C 0 -1.714 1.642 1.211 C 0 -2.068 0.773 2.184 C 0 -2.407 -0.450 1.599 C 0 -2.391 -0.280 0.208 |
5樓2010-04-25 11:25:46
zhaoxia2501
金蟲(chóng) (小有名氣)
- 應(yīng)助: 0 (幼兒園)
- 金幣: 916
- 散金: 4
- 帖子: 179
- 在線: 23.5小時(shí)
- 蟲(chóng)號(hào): 660523
- 注冊(cè): 2008-11-23
- 專業(yè): 理論和計(jì)算化學(xué)
2樓2010-04-25 11:10:22
springxa
至尊木蟲(chóng) (職業(yè)作家)
- 應(yīng)助: 23 (小學(xué)生)
- 金幣: 17956.1
- 散金: 337
- 紅花: 1
- 帖子: 3025
- 在線: 415.6小時(shí)
- 蟲(chóng)號(hào): 894685
- 注冊(cè): 2009-11-05
- 性別: GG
- 專業(yè): 固體力學(xué)
★ ★
gavinliu7390(金幣+2):謝謝交流！ 2010-04-25 12:32
qida(金幣+2):謝謝 2010-04-27 18:34
gavinliu7390(金幣+2):謝謝交流！ 2010-04-25 12:32
qida(金幣+2):謝謝 2010-04-27 18:34
|
用CaGe試試，鏈接如下： http://www.mathematik.uni-bielefeld.de/~CaGe/ 最好的富勒烯結(jié)構(gòu)生成程序－CaGe的簡(jiǎn)便使用方法： http://www.programfan.com/blog/article.asp?id=22915 |
3樓2010-04-25 11:23:43
bay__gulf
金蟲(chóng) (著名寫手)
劉蘇州
- 應(yīng)助: 9 (幼兒園)
- 貴賓: 4.85
- 金幣: 2332.8
- 紅花: 1
- 帖子: 1344
- 在線: 271小時(shí)
- 蟲(chóng)號(hào): 592012
- 注冊(cè): 2008-09-03
- 專業(yè): 理論和計(jì)算化學(xué)
- 管轄: 分子模擬
★ ★
gavinliu7390(金幣+2):謝謝交流！ 2010-04-25 12:32
qida(金幣+5):十分感謝 2010-04-27 18:34
gavinliu7390(金幣+2):謝謝交流！ 2010-04-25 12:32
qida(金幣+5):十分感謝 2010-04-27 18:34
|
c20 # generated by bay__gulf618 0 1 C 0 1.12338722 1.59639871 0.19501753 C 0 0.98827004 0.92822307 1.41783524 C 0 1.46251738 -0.37845898 1.25154042 C 0 0.39129069 -1.25663054 1.45474374 C 0 0.15745196 -1.93876779 0.25473925 C 0 -1.12337101 -1.59640229 -0.19501339 C 0 -0.98826158 -0.92822343 -1.41782999 C 0 -1.46251893 0.37845740 -1.25153303 C 0 -0.39129674 1.25663662 -1.45474434 C 0 -0.15745100 1.93876779 -0.25474182 C 0 1.68112969 0.70267558 -0.72702581 C 0 0.74501121 0.49269700 -1.74662983 C 0 0.37606117 -0.85762554 -1.72382116 C 0 1.08415306 -1.48217833 -0.69011104 C 0 1.89072537 -0.51785940 -0.07405601 C 0 -0.37606499 0.85762763 1.72381139 C 0 -0.74501556 -0.49268836 1.74662602 C 0 -1.68112874 -0.70268005 0.72702521 C 0 -1.89073253 0.51785237 0.07405828 C 0 -1.08415675 1.48217857 0.69010943 |
4樓2010-04-25 11:24:13
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