Performance of multi-configurational calculations for a 1,4-bis(phenylethynyl)benzene derivative conjugated molecule
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2008/CP/B719080H
Reference91 articles.
1. Charge-Transfer and Energy-Transfer Processes in π-Conjugated Oligomers and Polymers: A Molecular Picture
2. Inhomogeneous Electron Gas
3. Self-Consistent Equations Including Exchange and Correlation Effects
4. The Appropriateness of Density-Functional Theory for the Calculation of Molecular Electronics Properties
Cited by 4 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. Charge-carrier Transport in 1,4-Bis(phenylethynyl)benzene Derivatives Exhibiting Crystal Mesophases;Chemistry Letters;2013-07-05
2. Electronic states of 1,4-bis(phenylethynyl)benzene: A synchrotron radiation linear dichroism investigation;Chemical Physics;2012-01
3. Further evidences of the quality of double-hybrid energy functionals for π-conjugated systems;The Journal of Chemical Physics;2011-06-21
4. Dependence of Charge-Transport Parameters on Static Correlation and Self-Interaction Energy: The Case of a 1,4-Bis(Phenylethynyl)Benzene Derivative Conjugated Molecule;The Journal of Physical Chemistry A;2008-09-24
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