日本计较机化学杂志 SCIE

期刊简介估计审稿时候：

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.

《日本计较机化学杂志》是一本专一于计较机化学范畴的日本学术期刊。涵盖了计较机化学的多个主要方面。在实际化学计较方面，它切磋各类量子化学方式和份子摹拟手艺的成长与操纵。比方，研讨若何操纵密度泛函实际切确计较份子的电子布局和反应活性。药物设想范畴，存眷计较机赞助药物发明和优化的方式。比方经由进程假造挑选和份子对接手艺，从大批化合物库中疾速挑选出具备潜伏活性的药物份子。资料迷信研讨中，操纵计较机摹拟研讨资料的布局、机能和制备进程。像是展望新型纳米资料的力学、电学和光学性子，为尝试研讨供给实际指点。化学反应能源学局部，经由进程计较摹拟研讨化学反应的途径、速度和机制。比方阐发庞杂无机反应的微观进程和影响身分。另外，还触及化学信息学、生归天学计较和化学数据库开辟等相干主题。

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