{"title":"计算新出现的全氟烷基和多氟烷基物质的精确键解离能:利用基于连通性的层次结构方案实现化学准确性","authors":"Samir Kumar Nayak, S. S. Yamijala","doi":"10.1016/j.jhazmat.2024.133804","DOIUrl":null,"url":null,"abstract":"","PeriodicalId":506668,"journal":{"name":"Journal of Hazardous Materials","volume":"254 4","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Computing accurate bond dissociation energies of emerging per- and polyfluoroalkyl substances: Achieving chemical accuracy using connectivity-based hierarchy schemes\",\"authors\":\"Samir Kumar Nayak, S. S. Yamijala\",\"doi\":\"10.1016/j.jhazmat.2024.133804\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\",\"PeriodicalId\":506668,\"journal\":{\"name\":\"Journal of Hazardous Materials\",\"volume\":\"254 4\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-02-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Hazardous Materials\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1016/j.jhazmat.2024.133804\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Hazardous Materials","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1016/j.jhazmat.2024.133804","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Computing accurate bond dissociation energies of emerging per- and polyfluoroalkyl substances: Achieving chemical accuracy using connectivity-based hierarchy schemes