theoretical-model chemistry 化学理论模型
Mathematical Model Methods in Chemistry 化学中的数学模型方法
Chemistry Industry Model 化学工业型
atmospheric transport-chemistry model 大气输运和化学反应模型
model coupled mechanics and chemistry 力化耦合模型
chemistry model 化学模式
atmospheric chemistry model 大气化学模式
equilibrium chemistry model 平衡化学反应模型
By employing the methods of model chemistry, and DFT calculation to calculate the energy of the same atom cis and trans spinel, we obtained the results that the trans-spinel has better stability.
通过量子化学的密度泛函理论,采用模型化学方法和Gaussion03程序,计算了相同原子数的正反尖晶石型FeMnCuO4模型的能量,确定了反尖晶石结构具有更好的能量稳定性。
参考来源 - 尖晶石型过渡金属复合氧化物的制备及性能研究·2,447,543篇论文数据，部分数据来源于NoteExpress
The industry's traditional model, based chiefly on chemistry and basic biology, is giving way to a new approach based on biotechnology, computing, advanced chemistry and combinations of the three.
该行业的传统模型主要基于化学和基础生物学，但如今正让道给基于生物技术、计算、高级化学以及将三者综合的新方法。
FMO is considered a model system for studying photosynthetic energy transfer because it consists of only seven pigment molecules and its chemistry has been well characterized.
FMO被认为是研究光合能量传递的模式分子，因为它只有7个色素分子组成，而且它的化学特性已经研究的很透彻了。
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。
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