{"title":"银n杂环碳络合物的密度泛函理论研究","authors":"S. Akkoç, S. Ç. Yavuz, M. Akkurt, C. Ersanli","doi":"10.1080/22243682.2018.1425906","DOIUrl":null,"url":null,"abstract":"Geometry optimization was carried out by using the density functional theory method with B3LYP applying 6-31G* basis set by plotting the X-ray single crystal structure in the gas phase. Some solven...","PeriodicalId":17291,"journal":{"name":"Journal of the Chinese Advanced Materials Society","volume":"25 1","pages":"112-122"},"PeriodicalIF":0.0000,"publicationDate":"2018-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Density functional theory study of a silver N-heterocyclic carbene complex\",\"authors\":\"S. Akkoç, S. Ç. Yavuz, M. Akkurt, C. Ersanli\",\"doi\":\"10.1080/22243682.2018.1425906\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Geometry optimization was carried out by using the density functional theory method with B3LYP applying 6-31G* basis set by plotting the X-ray single crystal structure in the gas phase. Some solven...\",\"PeriodicalId\":17291,\"journal\":{\"name\":\"Journal of the Chinese Advanced Materials Society\",\"volume\":\"25 1\",\"pages\":\"112-122\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2018-05-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of the Chinese Advanced Materials Society\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1080/22243682.2018.1425906\",\"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 the Chinese Advanced Materials Society","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1080/22243682.2018.1425906","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Density functional theory study of a silver N-heterocyclic carbene complex
Geometry optimization was carried out by using the density functional theory method with B3LYP applying 6-31G* basis set by plotting the X-ray single crystal structure in the gas phase. Some solven...
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