Charge distributions in polyacetylene chains containing a positively charged defect-Reference-Cited by-同舟云学术

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Charge distributions in polyacetylene chains containing a positively charged defect

Published:2005 Issue:3 Volume:104 Page:354-366
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Monev Valentin,Spassova Milena,Champagne Benoît

Funder

Bulgarian Academy of Sciences

Belgian National Fund for Scientific Research

Commissariat Général aux Relations Internationales (CGRI) de la Communauté Française Wallonie-Bruxelles

Bulgarian Fund for Scientific Research

FNRS-FRFC

Loterie Nationale

FUNDP

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.20605/fullpdf

Reference63 articles.

1. Semiconducting and Metallic Polymers: The Fourth Generation of Polymeric Materials

2. Synthesis of electrically conducting organic polymers: halogen derivatives of polyacetylene, (CH) x

3. Charged Π-phase kinks in lightly doped polyacetylene

4. Bond alternation defects in long polyene molecules

5. Solitons in polyacetylene

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1. The 1,2-hydrogen shift reaction for monohalogenophosphanes PH2X and HPX (X = F, Cl);Molecular Physics;2016-07-29

2. Charge self-localization in π-conjugated polymers by long range corrected hybrid functionals;Physical Chemistry Chemical Physics;2014

3. Electronic Charge Density Analysis of Li-Doped Polyacetylene: Molecular vs Periodic Descriptions and Nature of Li-to-Chain Bonding;The Journal of Physical Chemistry B;2013-01-08

4. Toward a Transferable Set of Charges to Model Zeolitic Imidazolate Frameworks: Combined Experimental–Theoretical Research;The Journal of Physical Chemistry C;2012-12-27

5. 13C chemical shifts of polyacetylene chains with charged conformational defects: A GIAO–DFT study;Chemical Physics Letters;2011-02

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