computational chemistry
基本解释
- [化学] 计算化学
英汉例句
- For more advanced education, this LiveCD has a collection of bioinformatics, computational biology, and computational chemistry tools.
Vigyaan 面向更高级的教学，这个 LiveCD 提供了一系列生物信息学、计算生态学和计算化学的工具。 - Computational chemistry also got a boost from field programmable gate arrays: chips that allow users to essentially design their own hardware to streamline their simulations.
计算化学也从现场可编程门阵列（FPGA）上取得了一次提升：开发出了一种芯片，允许用户从本质上设计他们自己的硬件以使他们的仿真模拟流水线化。 - The IBM researchers collaborated with a computational chemistry group within the company to model the activity of the catalysts, and have demonstrated them experimentally in the lab.
IBM的研究人员与公司的计算化学组一起合作，仿制了该催化剂的活性，并且在实验室里进行了实验演示。
双语例句
词组短语
- Computational Quantum Chemistry [物化]计算量子化学;计算量子化学
- Computational Materials Chemistry 计算材料化学
- Computational molecular chemistry somed biology 生物信息学
- Mchem Computational Chemistry 计算化学
- Desktop Computational Chemistry 桌面计算化学
短语
专业释义
- 计算化学
The present dissertation is devoted to systematic research on the structures andproperties of multi-series of the cyclic nitramine energetic compotmds by using moderntheoretical and computational chemistry methods, mainly including quantum mechanics（QM） and molecular dynamics （MD）.
运用当代理论和计算化学方法，主要是量子力学（QM）和分子动力学（MD）方法，对多系列氮杂环硝胺类高能衍生物的结构和性能，进行了较为系统的计算和模拟。计算机科学技术
- 计算化学
ChemDataBase is an individual database management tool which is developed for computational chemistry e-Science (e-Chemistry for short). It supports a uniform and high-efficiency method of organizing, managing and querying the local chemical data.
ChemDataBase是计算化学e-Science(简称为e-Chemistry)中开发的一个个性化的化学数据库管理工具,为化学家提供了一种统一、高效的方式来组织、管理和查询本地的化学数据。