| 书目名称 | Quantum Computational Chemistry | | 副标题 | Modelling and Calcul | | 编辑 | Taku Onishi | | 视频video | | | 概述 | Appeals to both theoretical and experimental chemists.Explains how to do modelling and calculation through many research examples.Demonstrates how to interpret calculated molecular orbitals.Includes s | | 图书封面 |  | | 描述 | This book is for both theoretical and experimental chemists to begin quantum molecular orbital calculations for functional materials. First, the theoretical background including the molecular orbital calculation method and modelling are explained. This is followed by an explanation of how to do modelling and calculation and to interpret calculated molecular orbitals, with many research examples in the field of batteries, catalysts, organic molecules and biomolecules. Finally, future trends in computational chemistry are introduced. . | | 出版日期 | Book 2018 | | 关键词 | Chemical bonding rule and molecular orbital; How to do modelling and calculation; Calculation for batt | | 版次 | 1 | | doi | https://doi.org/10.1007/978-981-10-5933-9 | | isbn_softcover | 978-981-13-5528-8 | | isbn_ebook | 978-981-10-5933-9 | | copyright | Springer Nature Singapore Pte Ltd. 2018 |
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发表于 2025-3-21 16:54:11
