{"title":"Cluster analysis of lanthanide coordination environment: a modern approach","authors":"A. O. Dmitrienko","doi":"10.1007/s11172-024-4376-6","DOIUrl":null,"url":null,"abstract":"<div><p>A total of 5233 lanthanide coordination polyhedra of the composition MO<sub>8</sub> were selected from Cambridge Structural Database and analyzed using modern methods of unsupervised learning. The results of geometric clustering were compared with those of the continuous shape measure analysis, which is most widely used for analyzing the coordination polyhedra. The applicability was demonstrated of the new method to classification of the coordination environments that are difficult to analyze using conventional techniques.</p></div>","PeriodicalId":756,"journal":{"name":"Russian Chemical Bulletin","volume":"73 9","pages":"2646 - 2651"},"PeriodicalIF":1.7000,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Russian Chemical Bulletin","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s11172-024-4376-6","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
A total of 5233 lanthanide coordination polyhedra of the composition MO8 were selected from Cambridge Structural Database and analyzed using modern methods of unsupervised learning. The results of geometric clustering were compared with those of the continuous shape measure analysis, which is most widely used for analyzing the coordination polyhedra. The applicability was demonstrated of the new method to classification of the coordination environments that are difficult to analyze using conventional techniques.
期刊介绍：
Publishing nearly 500 original articles a year, by leading Scientists from Russia and throughout the world, Russian Chemical Bulletin is a prominent international journal. The coverage of the journal spans practically all areas of fundamental chemical research and is presented in five sections:
General and Inorganic Chemistry;
Physical Chemistry;
Organic Chemistry;
Organometallic Chemistry;
Chemistry of Natural Compounds and Bioorganic Chemistry.
京公网安备 11010802042870号
京ICP备2023020795号-1
分享
求助内容：
应助结果提醒方式：
扫码关注我们
