设计用于选择性分离锕系元素和镧系元素的配体的计算工具和技术：综述

IF 3.8 3区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Comments on Inorganic Chemistry Pub Date : 2024-01-29 DOI:10.1080/02603594.2024.2305884

Cheriyan Ebenezer, R. Vijay Solomon

引用次数: 0

摘要

密度泛函理论（DFT）的发展大大提高了计算化学在设计和开发用于分离锕系元素的配体方面的应用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Computational Tools and Techniques in Designing Ligands for the Selective Separation of Actinide and Lanthanide: A Review

The development of density functional theory (DFT) has significantly enhanced the use of computational chemistry as a tool in the design and development of ligands for the separation of actinides (...

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来源期刊

Comments on Inorganic Chemistry 化学-无机化学与核化学

CiteScore

9.00

自引率

1.90%

发文量

审稿时长

>12 weeks

期刊介绍： Comments on Inorganic Chemistry is intended as a vehicle for authoritatively written critical discussions of inorganic chemistry research. We publish focused articles of any length that critique or comment upon new concepts, or which introduce new interpretations or developments of long-standing concepts. “Comments” may contain critical discussions of previously published work, or original research that critiques existing concepts or introduces novel concepts. Through the medium of “comments,” the Editors encourage authors in any area of inorganic chemistry - synthesis, structure, spectroscopy, kinetics and mechanisms, theory - to write about their interests in a manner that is both personal and pedagogical. Comments is an excellent platform for younger inorganic chemists whose research is not yet widely known to describe their work, and add to the spectrum of Comments’ author profiles, which includes many well-established inorganic chemists.