用从头算法和原子键电负性均衡法对过氧化氢水化反应的理论研究融合到分子力学中

{"title":"用从头算法和原子键电负性均衡法对过氧化氢水化反应的理论研究融合到分子力学中","authors":"Chun-yang Yu, Li-Dong Gong, Zhong-Zhi Yang","doi":"10.1007/S11458-011-0259-0","DOIUrl":null,"url":null,"abstract":"","PeriodicalId":12785,"journal":{"name":"Frontiers of Chemistry in China","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2011-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/S11458-011-0259-0","citationCount":"3","resultStr":"{\"title\":\"Theoretical study on the hydration of hydrogen peroxide in terms of ab initio method and atom-bond electronegativity equalization method fused into molecular mechanics\",\"authors\":\"Chun-yang Yu, Li-Dong Gong, Zhong-Zhi Yang\",\"doi\":\"10.1007/S11458-011-0259-0\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\",\"PeriodicalId\":12785,\"journal\":{\"name\":\"Frontiers of Chemistry in China\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2011-12-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1007/S11458-011-0259-0\",\"citationCount\":\"3\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Frontiers of Chemistry in China\",\"FirstCategoryId\":\"1089\",\"ListUrlMain\":\"https://doi.org/10.1007/S11458-011-0259-0\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Frontiers of Chemistry in China","FirstCategoryId":"1089","ListUrlMain":"https://doi.org/10.1007/S11458-011-0259-0","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}