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\u6211\u7684\u56de\u7b54\u662f\u80af\u5b9a\u7684\uff1ahttp:\/\/references.accelrys.com\/\uff0c\u5bf9\uff0c\u4f7f\u7528\u8fd9\u4e2a\u94fe\u63a5\u6765\u641c\u7d22\u3002\u4e0b\u9762\u4e3e\u4e2a\u4f8b\u5b50\u3002 \u8fd1\u51e0\u5e74\uff0c\u77f3\u58a8\u70ef\u53ef\u8c13\u5927\u7ea2\u5927\u7d2b\uff0c\u662f\u5b66\u672f\u7814\u7a76\u7684\u70ed\u70b9\u3002\u5728\u94fe\u63a5http:\/\/references.accelrys.com\/\u4e2d\uff0c\u4ee5graphene\uff08\u77f3\u58a8\u70ef\u7684\u82f1\u8bed\u5355\u8bcd\uff09\u4f5c\u4e3a\u5173\u952e\u8bcd\u8fdb\u884c\u641c\u7d22\uff0c\u5373\u53ef\u8f7b\u677e\u5f97\u5230\u5982\u4e0b\u56fe\u7684\u7ed3\u679c\uff1a<\/p>\n 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\uff09\u7684\u6a21\u5757\u6700\u591a\uff0c\u4e14\u5c24\u5176\u4ee5DMol3\u6a21\u5757\u7684\u4f7f\u7528\u9891\u7387\u4e3a\u6700\u9ad8\u3002\u2461\u6807\u8bb0\u7684\u662f\u4ece2001\u5e74\u4ee5\u6765\u7528MS\u7814\u7a76\u77f3\u58a8\u70ef\u7684\u70ed\u95e8\u7a0b\u5ea6\uff0c\u4ece\u56fe\u4e2d\u53ef\u4ee5\u770b\u5230\u4ece2008\u5e74\u6765\uff0c\u8fd9\u7c7b\u7814\u7a76\u9010\u6e10\u8f6c\u70ed\uff08\u6570\u5b57\u201c2008\u201d\u7c97\u4f53\uff0c\u4e14\u5927\u5b57\u4f53\uff09\uff0c\u6700\u8fd1\u7684\u4e94\u5e74\uff082012~2016\u5e74\uff09\u7814\u7a76\u7684\u70ed\u5ea6\u4e00\u76f4\u4fdd\u6301\u9ad8\u4f4d\uff0c\u800c\u4e14\u5728\u6700\u8fd1\u7684\u4e94\u5e74\u4e2d\uff0c\u5c24\u5176\u4ee52015\u5e74\u53d1\u8868\u7684\u76f8\u5173\u6587\u732e\u6700\u591a\uff08\u6570\u5b57\u201c2015\u201d\u7c97\u4f53\uff0c\u4e14\u5b57\u4f53\u6700\u5927\uff09\u3002\u2462\u6807\u8bb0\u7684\u662f\u8fd9\u7c7b\u6587\u732e\u7684\u7814\u7a76\u5173\u952e\u8bcd\uff0c\u53ef\u4ee5\u4e3a\u4e86\u89e3\u7814\u7a76\u5206\u652f\u65b9\u5411\u7684\u70ed\u95e8\u7a0b\u5ea6\u63d0\u4f9b\u53c2\u8003\u3002<\/p>\n 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\u95ee\u98986\uff1a\u4ece\u54ea\u91cc\u53ef\u4ee5\u83b7\u5f97\u6784\u5efa\u6676\u4f53\u6676\u80de\u6240\u9700\u7684\u5168\u90e8\u4fe1\u606f\uff1f<\/strong><\/p>\n \u7b54\uff1a\u5bf9\u4e8e\u5e38\u89c1\u7684\u6676\u4f53\uff08\u8fd9\u4e5f\u662f\u6700\u5e38\u89c1\u7684\u60c5\u51b5\uff09\uff0c\u53ef\u6839\u636e\u6676\u4f53\u7684\u79cd\u7c7b\uff0c\u4ece\u4ee5\u4e0b\u7ecf\u5178\u7684\u6570\u636e\u5e93\u83b7\u5f97\u5176\u6676\u80de\u4fe1\u606f\uff1aa. \u65e0\u673a\u6676\u4f53\uff1a\u67e5ICSD*\uff0c\u5c0f\u6728\u866b\u4e2d\u53ef\u83b7\u5f97\u7684FindIt\u8f6f\u4ef6\uff0c\u5c31\u662f\u8be5\u6570\u636e\u5e93\u7684\u8131\u673a\u7248\uff0c\u5efa\u8bae\u4e0b\u8f7d\u8be5\u8f6f\u4ef6\uff1bb. 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\u6700\u540e\uff0c\u8fd8\u6709\u4e00\u4e2a\u79cd\u7279\u6b8a\u60c5\u51b5\uff1a\u81ea\u5df1\u5408\u6210\u4e86\u4e00\u79cd\u65b0\u7684\u6676\u4f53\uff0c\u60f3\u6784\u5efa\u5b83\u7684\u6676\u80de\u7ed3\u6784\u600e\u4e48\u529e\uff1f\u90a3\u53ea\u80fd\u81ea\u5df1\u57f9\u517b\u5355\u6676\uff0c\u505aXRD\u89e3\u6676\u4f53\u4e86\u3002<\/p>\n *\u6ce81\uff1aICSD\uff08The Inorganic Crystal Structure Database\uff09\uff0c\u65e0\u673a\u6676\u4f53\u7ed3\u6784\u6570\u636e\u5e93<\/p>\n **\u6ce82\uff1aCCDC\uff08The Cambridge Crystallographic Data Centre\uff09\uff0c\u5251\u6865\u5927\u5b66\u6676\u4f53\u5b66\u6570\u636e\u4e2d\u5fc3\uff1bCSD\uff08Cambridge Structural Database\uff09\uff0c\u5251\u6865\u5927\u5b66\u7ed3\u6784\u6570\u636e\u5e93<\/p>\n \u95ee\u98987\uff1a\u4e3a\u4ec0\u4e48\u627e\u5230\u7684\u6676\u80de\u4fe1\u606f\u4e2d\uff0c\u5176\u4ed6\u539f\u5b50\u7684\u5750\u6807\u4fe1\u606f\u5747\u6709\uff0c\u552f\u72ecH\u539f\u5b50\u7684\u5750\u6807\u4fe1\u606f\u7f3a\u5931\uff1f<\/strong><\/p>\n 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