Equalization equations in reactant resolution

Journal of Chemical Sciences

Jacek Korchowiec1¹ 

[1] K Guminski Department of Theoretical Chemistry, Jagiellonian University, R Ingardena 3, 30-060 Cracow, Poland$$

关键词: Chemical potential;    hardness;    equalization equations;    reactivity descriptors.;   

DOI  :  

来源: Indian Academy of Sciences

【 摘 要 】

The chemical system can be analyzed in different resolutions. The assumed resolution imposes a given partitioning of the system in physical or functional space. The most frequently explored are global, reactant, atoms-in-molecule, orbital, and local resolutions. In this paper we have considered reactant resolution, i.e., the mutually polarized reactants before the charge-transfer among them. We have demonstrated that a certain type of generalized sensitivity, the system responses to the population variables, is equalized throughout the space up to the infinite order in the perturbation expansion.

【 授权许可】

Unknown