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The electron delocalization range in stretched bonds

Published:2016-08-17 Issue:23 Volume:116 Page:1783-1795
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Mehmood Arshad¹,Janesko Benjamin G.¹

Affiliation:

1. Department of Chemistry and Biochemistry; Texas Christian University; 2800 S. University Dr, Fort Worth Texas 76129

Funder

Texas Christian University

Publisher

Wiley

Subject

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

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.25225/fullpdf

Reference106 articles.

1. All-Metal Aromaticity and Antiaromaticity

2. Halogen bonding and other σ-hole interactions: a perspective

3. Charge-Shift Bonding—A Class of Electron-Pair Bonds That Emerges from Valence Bond Theory and Is Supported by the Electron Localization Function Approach

4. Challenges for Density Functional Theory

5. The nature of electron correlation in a dissociating bond

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1. Replacing hybrid density functional theory: motivation and recent advances;Chemical Society Reviews;2021

2. M11plus: A Range-Separated Hybrid Meta Functional with Both Local and Rung-3.5 Correlation Terms and High Across-the-Board Accuracy for Chemical Applications;Journal of Chemical Theory and Computation;2019-08-05

3. An Orbital-Overlap Complement to Ligand and Binding Site Electrostatic Potential Maps;Journal of Chemical Information and Modeling;2018-08-30

4. Practical Density Functionals beyond the Overdelocalization–Underbinding Zero-Sum Game;The Journal of Physical Chemistry Letters;2017-08-29

5. Strong correlation in surface chemistry;Molecular Simulation;2017-02-07

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