日本計算機化學雜志 SCIE

期刊簡介預計審稿時間：

Journal of Computer Chemistry - Japan is a Japanese academic journal dedicated to the field of computer chemistry. It covers multiple important aspects of computer chemistry. In terms of theoretical chemical calculations, it explores the development and application of various quantum chemistry methods and molecular simulation techniques. For example, studying how to use density functional theory to accurately calculate the electronic structure and reactivity of molecules. In the field of drug design, focus on computer-aided drug discovery and optimization methods. For example, through virtual screening and molecular docking technology, potential active drug molecules can be quickly screened from a large library of compounds.

In materials science research, computer simulation is used to study the structure, properties, and preparation process of materials. Such as predicting the mechanical, electrical, and optical properties of new nanomaterials, providing theoretical guidance for experimental research. The chemical reaction kinetics section studies the pathways, rates, and mechanisms of chemical reactions through computational simulations. For example, analyzing the microscopic processes and influencing factors of complex organic reactions. In addition, it also involves related topics such as chemical informatics, biochemical calculations, and chemical database development.

《日本計算機化學雜志》是一本專注于計算機化學領域的日本學術期刊。涵蓋了計算機化學的多個重要方面。在理論化學計算方面，它探討各種量子化學方法和分子模擬技術的發展與應用。例如，研究如何利用密度泛函理論精確計算分子的電子結構和反應活性。藥物設計領域，關注計算機輔助藥物發現和優化的方法。比如通過虛擬篩選和分子對接技術，從大量化合物庫中快速篩選出具有潛在活性的藥物分子。材料科學研究中，利用計算機模擬研究材料的結構、性能和制備過程。像是預測新型納米材料的力學、電學和光學性質，為實驗研究提供理論指導?；瘜W反應動力學部分，通過計算模擬研究化學反應的路徑、速率和機制。例如分析復雜有機反應的微觀過程和影響因素。此外，還涉及化學信息學、生物化學計算和化學數據庫開發等相關主題。

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