Highly accurate benchmark calculations of the interaction energies in the complexes C6H6···C6X6(X = F, Cl, Br, and I)-Reference-Cited by-同舟云学术

Highly accurate benchmark calculations of the interaction energies in the complexes C6H6···C6X6(X = F, Cl, Br, and I)

Published:2016-12-28 Issue:7 Volume:117 Page:e25345
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Wang Weizhou¹^ORCID,Zhang Yu¹,Wang Yi-Bo²

Affiliation:

1. College of Chemistry and Chemical Engineering, and Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University; Luoyang 471934 China

2. Department of Chemistry and Key Laboratory of Guizhou High Performance Computational Chemistry; Guizhou University; Guiyang 550025 China

Funder

National Natural Science Foundation of China

Program for Science & Technology Innovation Talents in Universities of Henan Province

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.25345/fullpdf

Reference51 articles.

1. Accuracy of Quantum Mechanically Derived Force-Fields Parameterized from Dispersion-Corrected DFT Data: The Benzene Dimer as a Prototype for Aromatic Interactions

2. High-Accuracy Quantum Mechanical Studies of π−π Interactions in Benzene Dimers

3. Density-fitted open-shell symmetry-adapted perturbation theory and application toπ-stacking in benzene dimer cation and ionized DNA base pair steps

4. Origin of the Surprising Enhancement of Electrostatic Energies by Electron-Donating Substituents in Substituted Sandwich Benzene Dimers

5. Energy Component Analysis of π Interactions

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