For estimating a property of use, for example the activity of a catalyst or the ability to hold a ratio-element in a solid mineral matrix, or a material MAB whose active element is AB, there are used a descriptor DAB of the chemical bond between A and B, which has the dimension of an energy, and index RAB that measures the property of use of said material. The invention also relates to a process for determining the chemical affinity of an element or a set of elements B for a matrix A with a descripor DAB. The process according to the invention advantageously can be used for the design of new materials whose use produces the formation or the modification of at least one chemical bond or makes it necessary to prevent the formation of said bond.
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机译：为了估计使用性质，例如催化剂的活性或在固体矿物基质中保持比例元素的能力，或活性元素为AB的材料M AB ，使用A和B之间化学键的描述符D AB （具有能量的维数）和索引R AB ，用于测量所述材料的使用特性。本发明还涉及确定一种元素或一组元素B对具有描述的D AB 的基质A的化学亲和力的方法。根据本发明的方法可以有利地用于新材料的设计，所述新材料的使用产生至少一种化学键的形成或修饰，或者使得必须防止所述键的形成。
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