Quantum-Chemical Calculation of Acidity Indices of Cu(II) Aqua Ions by the Density Functional Theory Method within the Framework of the Molecular-Continuum Model of Hydration

被引：0

作者：

A. N. Masliy ^{[1
]}

L. R. Safina ^{[1
]}

A. M. Kuznetsov ^{[1
]}

机构：

[1] Department of Inorganic Chemistry,

[2] Kazan National Research Technological University,undefined

来源：

Doklady Chemistry | 2024年 / 516卷 / 1期

关键词：

Cu(II) aqua ions; acidity indices; density functional; molecular-continuum model;

D O I：

10.1134/S0012500825600051

中图分类号：

学科分类号：

摘要：

引用

页码：106 / 110

页数：4

共 8 条

[1] Molecular models of surface structures of silica modified with trichlorosilane: A quantum-chemical calculation within the framework of the density functional theory
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[4] Quantum-chemical calculation of molecular structures of (5656)macrotetracyclic 3d-metal complexes "self-assembled" in quaternary systems M(II) ion-ethanedithioamide-formaldehyde-ammonia by the density functional theory method
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[6] Quantum chemical calculation of the molecular structures of (666)macrotricyclic chelates of 3D elements in the M(II)-propanedithioamide-formaldehyde systems by the density functional theory method
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[8] Molecular Structures of Macrotricyclic 4d M(II) Chelates with the (NNNN)-Donor Ligand 2,7-Dithio-3,6-diazaoctadiene-3,5-dithioamide-1,8 according to Quantum-Chemical Density Functional Theory Calculations
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