基于DFT势能面的非血红素FeIVO配合物自旋依赖吸氢的理论研究

{"title":"基于DFT势能面的非血红素FeIVO配合物自旋依赖吸氢的理论研究","authors":"Sumin Park, Binh Khanh Mai, Yongho Kim","doi":"10.1007/s00214-023-03059-9","DOIUrl":null,"url":null,"abstract":"","PeriodicalId":23045,"journal":{"name":"Theoretical Chemistry Accounts","volume":"19 6","pages":"0"},"PeriodicalIF":1.6000,"publicationDate":"2023-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A theoretical study for spin-dependent hydrogen abstraction by non-heme FeIVO complexes based on DFT potential energy surfaces\",\"authors\":\"Sumin Park, Binh Khanh Mai, Yongho Kim\",\"doi\":\"10.1007/s00214-023-03059-9\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\",\"PeriodicalId\":23045,\"journal\":{\"name\":\"Theoretical Chemistry Accounts\",\"volume\":\"19 6\",\"pages\":\"0\"},\"PeriodicalIF\":1.6000,\"publicationDate\":\"2023-10-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Theoretical Chemistry Accounts\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1007/s00214-023-03059-9\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Theoretical Chemistry Accounts","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1007/s00214-023-03059-9","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}