{"title":"原始、Sc、Ti和ni掺杂C24纳米笼对Prothionamide药物递送和传感器性能的能力和潜力评估:DFT、TD-DFT计算方法的见解","authors":"M. Rezaei-Sameti, H. Torabi","doi":"10.1142/s2737416523500266","DOIUrl":null,"url":null,"abstract":"","PeriodicalId":15603,"journal":{"name":"Journal of Computational Biophysics and Chemistry","volume":null,"pages":null},"PeriodicalIF":2.0000,"publicationDate":"2023-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Assessment of the capability and potential of pristine, Sc, Ti and Ni-doped C24 nanocage to delivery and sensor property of Prothionamide drug: Insight of DFT, TD-DFT computational methods\",\"authors\":\"M. Rezaei-Sameti, H. Torabi\",\"doi\":\"10.1142/s2737416523500266\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\",\"PeriodicalId\":15603,\"journal\":{\"name\":\"Journal of Computational Biophysics and Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.0000,\"publicationDate\":\"2023-03-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Computational Biophysics and Chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1142/s2737416523500266\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Computational Biophysics and Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1142/s2737416523500266","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Assessment of the capability and potential of pristine, Sc, Ti and Ni-doped C24 nanocage to delivery and sensor property of Prothionamide drug: Insight of DFT, TD-DFT computational methods