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Structure of Fukui matrices

Published:2017-07-31 Issue:22 Volume:117 Page:e25440
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Bochicchio Roberto C.¹²^ORCID

Affiliation:

1. Universidad de Buenos Aires, Facultad de Ciencias Exactas y Naturales, Departamento de Física, Ciudad Universitaria; 1428 Buenos Aires Argentina

2. CONICET - Universidad de Buenos Aires, Instituto de Física de Buenos Aires (IFIBA), Ciudad Universitaria; 1428 Buenos Aires Argentina

Funder

Universidad de Buenos Aires

Consejo Nacional de Investigaciones Científicas y Técnicas

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference20 articles.

1. Conceptual Density Functional Theory

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

3. The Fukui matrix: a simple approach to the analysis of the Fukui function and its positive character

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

5. Influence of electron correlation and degeneracy on the Fukui matrix and extension of frontier molecular orbital theory to correlated quantum chemical methods

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1. Donor‐acceptor interactions: Transition metal carbonyl group ligand [ TM ( CO ) 6 ] q complexes. A case study at correlated level from the topological density point of view;International Journal of Quantum Chemistry;2018-12-20

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