calculated carbon aromaticity index

简明释义

计算碳芳香度指数

英英释义

例句

1.Using the calculated carbon aromaticity index 计算的碳芳香性指数, scientists can better understand the properties of complex organic molecules.

通过使用计算的碳芳香性指数，科学家可以更好地理解复杂有机分子的特性。

2.The team applied the calculated carbon aromaticity index 计算的碳芳香性指数 to evaluate the performance of new materials in energy applications.

该团队应用计算的碳芳香性指数来评估新材料在能源应用中的表现。

3.In their study, they found that the calculated carbon aromaticity index 计算的碳芳香性指数 correlates well with the reactivity of certain aromatic compounds.

在他们的研究中，他们发现计算的碳芳香性指数与某些芳香化合物的反应性有很好的相关性。

4.The researchers published a paper discussing the significance of the calculated carbon aromaticity index 计算的碳芳香性指数 in predicting the stability of organic compounds.

研究人员发表了一篇论文，讨论了计算的碳芳香性指数在预测有机化合物稳定性方面的重要性。

5.The calculated carbon aromaticity index 计算的碳芳香性指数 is a useful metric for assessing the environmental impact of chemical substances.

计算的碳芳香性指数是评估化学物质环境影响的一个有用指标。

作文

The concept of the calculated carbon aromaticity index is crucial in the field of organic chemistry and materials science. It provides a quantitative measure of the aromatic character of carbon-containing compounds, which is essential for understanding their stability, reactivity, and overall chemical behavior. Aromatic compounds are characterized by their cyclic structure and delocalized π-electrons, which contribute to their unique properties. The calculated carbon aromaticity index quantifies this aromaticity, allowing chemists to predict how these compounds will behave in various chemical reactions.To better understand the significance of the calculated carbon aromaticity index, we must first explore the nature of aromaticity itself. Aromatic compounds, such as benzene, are known for their exceptional stability compared to non-aromatic compounds. This stability arises from the resonance energy associated with the delocalization of electrons across the ring structure. The calculated carbon aromaticity index serves as a numerical representation of this stability, helping researchers identify potential candidates for synthesis or application in various fields, including pharmaceuticals, materials engineering, and environmental science.For instance, in drug design, the calculated carbon aromaticity index can be used to evaluate the aromaticity of potential drug molecules. Compounds with higher aromaticity may exhibit better binding affinity to biological targets, leading to more effective therapeutic agents. By utilizing the calculated carbon aromaticity index, researchers can streamline the drug discovery process, focusing on compounds that are likely to demonstrate desirable pharmacological properties.Moreover, the calculated carbon aromaticity index is not limited to organic chemistry; it also has implications in materials science. For example, the development of new materials, such as conductive polymers or nanomaterials, often relies on the understanding of their electronic properties, which are influenced by the degree of aromaticity. By calculating the calculated carbon aromaticity index for various materials, scientists can predict their conductivity, stability, and suitability for specific applications.In addition, the calculated carbon aromaticity index can play a role in environmental chemistry. Understanding the aromaticity of pollutants can help assess their persistence in the environment and their potential toxicity. For example, polycyclic aromatic hydrocarbons (PAHs) are known environmental contaminants with significant health risks. By evaluating the calculated carbon aromaticity index of these compounds, researchers can gain insights into their behavior in natural systems and develop strategies for remediation.In conclusion, the calculated carbon aromaticity index is a vital tool in the realm of chemistry, providing valuable information about the aromatic character of carbon-based compounds. Its applications span across various disciplines, from drug discovery to materials science and environmental chemistry. As our understanding of aromaticity deepens, the calculated carbon aromaticity index will continue to serve as a key metric for predicting the behavior and properties of complex organic molecules, ultimately contributing to advancements in science and technology.

计算碳芳香性指数（calculated carbon aromaticity index）的概念在有机化学和材料科学领域至关重要。它为含碳化合物的芳香特性提供了定量测量，这对于理解其稳定性、反应性和整体化学行为是必不可少的。芳香化合物的特征是其环状结构和离域π电子，这些都对其独特的性质做出了贡献。calculated carbon aromaticity index量化了这种芳香性，使化学家能够预测这些化合物在各种化学反应中的行为。为了更好地理解calculated carbon aromaticity index的重要性，我们必须首先探讨芳香性的本质。芳香化合物，如苯，以其相较于非芳香化合物的卓越稳定性而闻名。这种稳定性源于与电子在环结构中离域相关的共振能量。calculated carbon aromaticity index作为这种稳定性的数值表示，帮助研究人员识别潜在的合成或应用候选者，在制药、材料工程和环境科学等各个领域具有重要意义。例如，在药物设计中，calculated carbon aromaticity index可用于评估潜在药物分子的芳香性。芳香性较高的化合物可能表现出更好的生物靶点结合亲和力，从而导致更有效的治疗剂。通过利用calculated carbon aromaticity index，研究人员可以简化药物发现过程，专注于可能表现出理想药理特性的化合物。此外，calculated carbon aromaticity index不仅限于有机化学；它在材料科学中也具有重要意义。例如，新材料的开发，如导电聚合物或纳米材料，通常依赖于对其电子性质的理解，而这些性质受到芳香性程度的影响。通过计算各种材料的calculated carbon aromaticity index，科学家可以预测它们的导电性、稳定性和适用性。另外，calculated carbon aromaticity index在环境化学中也起着重要作用。了解污染物的芳香性可以帮助评估其在环境中的持久性及其潜在毒性。例如，多环芳香烃（PAHs）是已知的环境污染物，具有显著的健康风险。通过评估这些化合物的calculated carbon aromaticity index，研究人员可以深入了解它们在自然系统中的行为，并制定修复策略。总之，calculated carbon aromaticity index是化学领域的重要工具，为含碳化合物的芳香特性提供了宝贵的信息。它的应用跨越多个学科，从药物发现到材料科学和环境化学。随着我们对芳香性的理解加深，calculated carbon aromaticity index将继续作为预测复杂有机分子行为和性质的关键指标，最终促进科学和技术的进步。