| 书目名称 | Molecular Materials with Specific Interactions - Modeling and Design |
| 编辑 | W. Andrzej Sokalski |
| 视频video | |
| 概述 | Design of new molecular materials is emerging as a new interdisciplinary research field and corresponding reports are scattered in literature, this book constitutes one of the first attempts to overvi |
| 丛书名称 | Challenges and Advances in Computational Chemistry and Physics |
| 图书封面 |  |
| 描述 | .".Molecular Materials with Specific Interactions: Modeling and Design." has a very interdisciplinary character and is intended to provide basic information as well as the details of theory and examples of its application to experimentalists and theoreticians interested in modeling molecular properties and putting into practice rational design of new materials. ...One of the first requirements to initiate the molecular modeling of molecular materials is an accurate and realistic description of the electronic structure, intermolecular interactions and chemical reactions at microscopic and macroscopic scale. Therefore the first four chapters contain an extensive introduction into the latest theories of intermolecular interactions, functional density techniques, microscopic and mezoscopic modeling techniques as well as first-principle molecular dynamics. ..In the following chapters, techniques bridging microscopic and mezoscopic modeling scales are presented. The authors then illustrate various successful applications of molecular design of new materials, drugs, biocatalysts, etc. before presenting challenging topics in molecular materials design.. |
| 出版日期 | Book 2007 |
| 关键词 | Fulleren; Nanotube; bionanotechnology; carbon nanotubes; computational chemistry; molecular materials des |
| 版次 | 1 |
| doi | https://doi.org/10.1007/1-4020-5372-X |
| isbn_softcover | 978-90-481-7353-2 |
| isbn_ebook | 978-1-4020-5372-6Series ISSN 2542-4491 Series E-ISSN 2542-4483 |
| issn_series | 2542-4491 |
| copyright | Springer Science+Business Media B.V. 2007 |
发表于 2025-3-21 18:36:25
