Nonlocal (Pair Site) Reactivity from Second-Order Static Density Response Function: Gas- and Solution-Phase Reactivity of the Acetaldehyde Enolate as a Test Case-Reference-Cited by-同舟云学术

Nonlocal (Pair Site) Reactivity from Second-Order Static Density Response Function: Gas- and Solution-Phase Reactivity of the Acetaldehyde Enolate as a Test Case

Published:1999-02-20 Issue:10 Volume:103 Page:1367-1375
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Contreras Renato¹,Domingo Luis R.¹,Andrés Juan¹,Pérez Patricia¹,Tapia Orlando¹

Affiliation:

1. Departament de Ciènces Experimentals, Universitat Jaume I, Box 242, 12080, Castelló, Spain, Departament de Química Orgànica, Universitat de València, Dr. Moliner 50, 46100 Burjassot, València, Spain, and Department of Physical Chemistry, Uppsala University, Box 532, S-751 21, Uppsala, Sweden

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp982801i

Reference27 articles.

1. Theory of non-local (pair site) reactivity from model static-density response functions

2. Molecular hardness and softness, local hardness and softness, hardness and softness kernels, and relations among these quantities

3. Solvation energies from the linear response function of density functional theory

4. A relationship between the static dipole polarizability, the global softness, and the fukui function

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