{"title":"Calculation of Van der Waals Interactions and Hydrogen Bonding in Crystals","authors":"EDOARDO GIGLIO","doi":"10.1038/222339a0","DOIUrl":null,"url":null,"abstract":"The coordinates of the dimethylglyoxime atoms in the crystal structure may be predicted by locating the deepest minimum of the potential energy which depends on three rotational degrees of freedom. Standard bond distances and bond angles have been assigned to the molecule and the space group symmetries have been assumed known.","PeriodicalId":18787,"journal":{"name":"Nature","volume":"222 5191","pages":"339-341"},"PeriodicalIF":50.5000,"publicationDate":"1969-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1038/222339a0","citationCount":"90","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Nature","FirstCategoryId":"103","ListUrlMain":"https://www.nature.com/articles/222339a0","RegionNum":1,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MULTIDISCIPLINARY SCIENCES","Score":null,"Total":0}
引用次数: 90
Abstract
The coordinates of the dimethylglyoxime atoms in the crystal structure may be predicted by locating the deepest minimum of the potential energy which depends on three rotational degrees of freedom. Standard bond distances and bond angles have been assigned to the molecule and the space group symmetries have been assumed known.
期刊介绍：
Nature is a prestigious international journal that publishes peer-reviewed research in various scientific and technological fields. The selection of articles is based on criteria such as originality, importance, interdisciplinary relevance, timeliness, accessibility, elegance, and surprising conclusions. In addition to showcasing significant scientific advances, Nature delivers rapid, authoritative, insightful news, and interpretation of current and upcoming trends impacting science, scientists, and the broader public. The journal serves a dual purpose: firstly, to promptly share noteworthy scientific advances and foster discussions among scientists, and secondly, to ensure the swift dissemination of scientific results globally, emphasizing their significance for knowledge, culture, and daily life.
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