Negativity of Fukui function of some isolated s and p block elements: The role of orbital relaxation effect-Reference-Cited by-同舟云学术

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Negativity of Fukui function of some isolated s and p block elements: The role of orbital relaxation effect

Published:2015-09 Issue: Volume:637 Page:88-93
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Bhattacharjee Rituparna,Roy Ram Kinkar

Funder

Birla Institute of Technology and Science

DST

Departmental Research Support

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference33 articles.

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

2. Electron density, Kohn–Sham frontier orbitals, and Fukui functions

3. The use of global and local molecular parameters for the analysis of the gas-phase basicity of amines

4. Perspective on "Density functional approach to the frontier-electron theory of chemical reactivity"

5. Electronegativity: The density functional viewpoint

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1. Spectroscopic, quantum computational, molecular docking and biological parameters of 4-phenylbutyrophenone: a neuroleptic agent;Chemical Papers;2021-04-07

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