An Example Where Orbital Relaxation Is an Important Contribution to the Fukui Function-Reference-Cited by-同舟云学术

An Example Where Orbital Relaxation Is an Important Contribution to the Fukui Function

Published:2005-01-22 Issue:6 Volume:109 Page:1146-1151
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Bartolotti Libero J.¹,Ayers Paul W.¹

Affiliation:

1. Department of Chemistry, East Carolina University, Greenville, North Carolina 27858, and Department of Chemistry, McMaster University, Hamilton, Ontario, Canada L8S 4M1

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp0462207

Reference36 articles.

1. Density Functional Theory of Electronic Structure

2. Nobel Lecture: Electronic structure of matter—wave functions and density functionals

3. Conceptual Density Functional Theory

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