{"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}
引用次数: 0
PbCNN ：一个包含Pb≡≡C键的分子
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.
本文章由计算机程序翻译，如有差异，请以英文原文为准。
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
