{"title":"基于分子力学计算的阴离子选择性合成配体的分子模型,采用从头算原子对势进行离子-配体相互作用能评估","authors":"T. Maruizumi","doi":"10.1016/B978-0-444-88864-8.50111-4","DOIUrl":null,"url":null,"abstract":"","PeriodicalId":106586,"journal":{"name":"Computer Aided Innovation of New Materials","volume":"69 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"MOLECULAR MODELING OF ANION SELECTIVE SYNTHETIC LIGANDS BASED ON MOLECULAR MECHANICAL CALCULATIONS EMPLOYING AB INITIO ATOM PAIR POTENTIALS FOR ION-LIGAND INTERACTION ENERGY EVALUATION\",\"authors\":\"T. Maruizumi\",\"doi\":\"10.1016/B978-0-444-88864-8.50111-4\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\",\"PeriodicalId\":106586,\"journal\":{\"name\":\"Computer Aided Innovation of New Materials\",\"volume\":\"69 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1900-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computer Aided Innovation of New Materials\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1016/B978-0-444-88864-8.50111-4\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computer Aided Innovation of New Materials","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1016/B978-0-444-88864-8.50111-4","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
MOLECULAR MODELING OF ANION SELECTIVE SYNTHETIC LIGANDS BASED ON MOLECULAR MECHANICAL CALCULATIONS EMPLOYING AB INITIO ATOM PAIR POTENTIALS FOR ION-LIGAND INTERACTION ENERGY EVALUATION