{"title":"封面:金刚烷胺和 1-氰基金刚烷阳离子的非绝热光动力学(ChemPhysChem 21/2024)","authors":"Bonasree Roy, Evgenii Titov, Peter Saalfrank","doi":"10.1002/cphc.202482101","DOIUrl":null,"url":null,"abstract":"<p><b>The Front Cover</b> artistically illustrates different excited-state lifetimes of the cations of 1-cyanoadamantane and amantadine—nitrogen-containing derivatives of the adamantane cation. In their Research Article (DOI: 10.1002/cphc.202400331), B. Roy, E. Titov, and P. Saalfrank relate how the nonadiabatic dynamics and electronic spectra were studied by using surface-hopping molecular dynamics simulations and quantum chemical calculations.\n <figure>\n <div><picture>\n <source></source></picture><p></p>\n </div>\n </figure>\n </p>","PeriodicalId":9819,"journal":{"name":"Chemphyschem","volume":null,"pages":null},"PeriodicalIF":2.3000,"publicationDate":"2024-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cphc.202482101","citationCount":"0","resultStr":"{\"title\":\"Front Cover: Nonadiabatic Photodynamics of Amantadine and 1-Cyanoadamantane Cations (ChemPhysChem 21/2024)\",\"authors\":\"Bonasree Roy, Evgenii Titov, Peter Saalfrank\",\"doi\":\"10.1002/cphc.202482101\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><b>The Front Cover</b> artistically illustrates different excited-state lifetimes of the cations of 1-cyanoadamantane and amantadine—nitrogen-containing derivatives of the adamantane cation. In their Research Article (DOI: 10.1002/cphc.202400331), B. Roy, E. Titov, and P. Saalfrank relate how the nonadiabatic dynamics and electronic spectra were studied by using surface-hopping molecular dynamics simulations and quantum chemical calculations.\\n <figure>\\n <div><picture>\\n <source></source></picture><p></p>\\n </div>\\n </figure>\\n </p>\",\"PeriodicalId\":9819,\"journal\":{\"name\":\"Chemphyschem\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.3000,\"publicationDate\":\"2024-11-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cphc.202482101\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemphyschem\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/cphc.202482101\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemphyschem","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/cphc.202482101","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
摘要
封面艺术地展示了 1-氰基金刚烷阳离子和金刚烷阳离子含氮衍生物的不同激发态寿命。在他们的研究文章(DOI: 10.1002/cphc.202400331)中,B. Roy、E. Titov 和 P. Saalfrank 讲述了如何利用表面跳跃分子动力学模拟和量子化学计算研究非绝热动力学和电子能谱。
Front Cover: Nonadiabatic Photodynamics of Amantadine and 1-Cyanoadamantane Cations (ChemPhysChem 21/2024)
The Front Cover artistically illustrates different excited-state lifetimes of the cations of 1-cyanoadamantane and amantadine—nitrogen-containing derivatives of the adamantane cation. In their Research Article (DOI: 10.1002/cphc.202400331), B. Roy, E. Titov, and P. Saalfrank relate how the nonadiabatic dynamics and electronic spectra were studied by using surface-hopping molecular dynamics simulations and quantum chemical calculations.
期刊介绍:
ChemPhysChem is one of the leading chemistry/physics interdisciplinary journals (ISI Impact Factor 2018: 3.077) for physical chemistry and chemical physics. It is published on behalf of Chemistry Europe, an association of 16 European chemical societies.
ChemPhysChem is an international source for important primary and critical secondary information across the whole field of physical chemistry and chemical physics. It integrates this wide and flourishing field ranging from Solid State and Soft-Matter Research, Electro- and Photochemistry, Femtochemistry and Nanotechnology, Complex Systems, Single-Molecule Research, Clusters and Colloids, Catalysis and Surface Science, Biophysics and Physical Biochemistry, Atmospheric and Environmental Chemistry, and many more topics. ChemPhysChem is peer-reviewed.