{"title":"通过分子间相互作用的特征探究其转移性：硝基案例研究","authors":"Ivan V. Ananyev, Leonid L. Fershtat","doi":"10.1016/j.mencom.2024.06.023","DOIUrl":null,"url":null,"abstract":"<div><p>Based on the processing of supramolecular environments of nitro group from Cambridge Structural Database by means of the ‘Atoms in Molecules’ analysis of promolecular electron density function, it is demonstrated that the topological stability of intermolecular bonding within one associate reflects trends in prevalence of interactions with particular geometry in real crystals.</p></div>","PeriodicalId":18542,"journal":{"name":"Mendeleev Communications","volume":"34 4","pages":"Pages 540-542"},"PeriodicalIF":1.8000,"publicationDate":"2024-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Probing transferability of intermolecular interactions by their features: a nitro group case study\",\"authors\":\"Ivan V. Ananyev, Leonid L. Fershtat\",\"doi\":\"10.1016/j.mencom.2024.06.023\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Based on the processing of supramolecular environments of nitro group from Cambridge Structural Database by means of the ‘Atoms in Molecules’ analysis of promolecular electron density function, it is demonstrated that the topological stability of intermolecular bonding within one associate reflects trends in prevalence of interactions with particular geometry in real crystals.</p></div>\",\"PeriodicalId\":18542,\"journal\":{\"name\":\"Mendeleev Communications\",\"volume\":\"34 4\",\"pages\":\"Pages 540-542\"},\"PeriodicalIF\":1.8000,\"publicationDate\":\"2024-07-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Mendeleev Communications\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0959943624002001\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Mendeleev Communications","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0959943624002001","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Probing transferability of intermolecular interactions by their features: a nitro group case study
Based on the processing of supramolecular environments of nitro group from Cambridge Structural Database by means of the ‘Atoms in Molecules’ analysis of promolecular electron density function, it is demonstrated that the topological stability of intermolecular bonding within one associate reflects trends in prevalence of interactions with particular geometry in real crystals.
期刊介绍：
Mendeleev Communications is the journal of the Russian Academy of Sciences, launched jointly by the Academy of Sciences of the USSR and the Royal Society of Chemistry (United Kingdom) in 1991. Starting from 1st January 2007, Elsevier is the new publishing partner of Mendeleev Communications.
Mendeleev Communications publishes short communications in chemistry. The journal primarily features papers from the Russian Federation and the other states of the former USSR. However, it also includes papers by authors from other parts of the world. Mendeleev Communications is not a translated journal, but instead is published directly in English. The International Editorial Board is composed of eminent scientists who provide advice on refereeing policy.
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