{"title":"PbCNN ：一个包含Pb≡≡C键的分子","authors":"张文斌, 石国升, 丁益宏, 孙家钟","doi":"10.1360/ZB2008-38-12-1070","DOIUrl":null,"url":null,"abstract":"为了预测一种含有Pb≡≡ C三键的新型分子, 在CCSD(T)//B3LYP方法下研究了四原子分子[PbCN 2 ]的势能面, 发现线型异构体 PbCNN 具有良好的热力学和动力学稳定性. 分子轨道分析, 加氢热, 键能及键解离能分析均表明该异构体包含Pb≡≡ C三键.","PeriodicalId":49128,"journal":{"name":"Science in China. Series B, Chemistry","volume":"11 1","pages":"1070-1074"},"PeriodicalIF":0.0000,"publicationDate":"2008-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"PbCNN ：一个包含Pb≡≡C键的分子\",\"authors\":\"张文斌, 石国升, 丁益宏, 孙家钟\",\"doi\":\"10.1360/ZB2008-38-12-1070\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"为了预测一种含有Pb≡≡ C三键的新型分子, 在CCSD(T)//B3LYP方法下研究了四原子分子[PbCN 2 ]的势能面, 发现线型异构体 PbCNN 具有良好的热力学和动力学稳定性. 分子轨道分析, 加氢热, 键能及键解离能分析均表明该异构体包含Pb≡≡ C三键.\",\"PeriodicalId\":49128,\"journal\":{\"name\":\"Science in China. Series B, Chemistry\",\"volume\":\"11 1\",\"pages\":\"1070-1074\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2008-12-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Science in China. Series B, Chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1360/ZB2008-38-12-1070\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Science in China. Series B, Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1360/ZB2008-38-12-1070","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
