Fukui and dual-descriptor matrices in the basis-set representation: A spin-free approach-Reference-Cited by-同舟云学术

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Fukui and dual-descriptor matrices in the basis-set representation: A spin-free approach

Published:2012-04 Issue: Volume:533 Page:114-117
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Alcoba Diego R.,Tiznado William,Oña Ofelia B.,Torre Alicia,Lain Luis

Funder

Universidad de Buenos Aires

Consejo Nacional de Investigaciones Cientı´ficas y Técnicas, República Argentina

Universidad Andres Bello

Fondecyt

Spanish Ministry of Science and Innovation

Universidad del Pais Vasco

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference22 articles.

1. Density-Functional Theory of the Electronic Structure of Molecules

2. Conceptual Density Functional Theory

3. Density functional approach to the frontier-electron theory of chemical reactivity

4. Density-Functional Theory of Atoms and Molecules;Parr,1989

5. Chemical Reactivity Theory: A Density Functional View;Ayers,2009

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1. Extending Conceptual Density Functional Theory toward First-Order Reduced Density Matrices: An Open Subsystems Viewpoint on the Fukui Matrix;Journal of Chemical Theory and Computation;2023-08-02

2. ChemTools: Gain Chemical Insight from Quantum Chemistry Calculations;Conceptual Density Functional Theory;2022-04-15

3. Structure of Fukui matrices;International Journal of Quantum Chemistry;2017-07-31

4. Analysis of molecular and (di)atomic dual-descriptor functions and matrices;Journal of Molecular Modeling;2017-05-10

5. Atom and Bond Fukui Functions and Matrices: A Hirshfeld-I Atoms-in-Molecule Approach;ChemPhysChem;2016-07-06

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