{"title":"铜(II)中心的分子模型","authors":"V. Burton, R. Deeth","doi":"10.1039/C39950000573","DOIUrl":null,"url":null,"abstract":"d-Electron stabilisation energies provide a general framework for extending conventional Molecular Mechanics to open-shell complexes; a single set of Force Field parameters successfully models both planar CuN4 and Jahn–Teller distorted, tetragonally elongated CuN6 amine complexes.","PeriodicalId":17282,"journal":{"name":"Journal of The Chemical Society, Chemical Communications","volume":"57 1","pages":"573-574"},"PeriodicalIF":0.0000,"publicationDate":"1995-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"19","resultStr":"{\"title\":\"Molecular modelling for copper(II) centres\",\"authors\":\"V. Burton, R. Deeth\",\"doi\":\"10.1039/C39950000573\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"d-Electron stabilisation energies provide a general framework for extending conventional Molecular Mechanics to open-shell complexes; a single set of Force Field parameters successfully models both planar CuN4 and Jahn–Teller distorted, tetragonally elongated CuN6 amine complexes.\",\"PeriodicalId\":17282,\"journal\":{\"name\":\"Journal of The Chemical Society, Chemical Communications\",\"volume\":\"57 1\",\"pages\":\"573-574\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1995-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"19\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of The Chemical Society, Chemical Communications\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1039/C39950000573\",\"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 Chemical Society, Chemical Communications","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1039/C39950000573","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
d-Electron stabilisation energies provide a general framework for extending conventional Molecular Mechanics to open-shell complexes; a single set of Force Field parameters successfully models both planar CuN4 and Jahn–Teller distorted, tetragonally elongated CuN6 amine complexes.
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号
