Influence of building block aromaticity in the determination of electronic properties of five-membered heterocyclic oligomers (original) (raw)
Computational Study on the Effect of Substituents on the Structural and Electronic Properties of Thiophene–Pyrrole-Based π-Conjugated Oligomers
Aditya Prasad Panda
Macromolecules, 2013
View PDFchevron_right
Electronic Properties of Vinylene-Linked Heterocyclic Conducting Polymers: Predictive Design and Rational Guidance from DFT Calculations
Bryan M Wong
Journal of Physical Chemistry C, 115, 18333 (2011)
View PDFchevron_right
Theoretical Investigation of Optical and Electronic Property Modulations of π-Conjugated Polymers Based on the Electron-Rich 3,6-Dimethoxy-fluorene Unit
Ai Ren
Journal of Organic Chemistry, 2005
View PDFchevron_right
Electronic structure of conducting organic polymers: insights from time-dependent density functional theory
Ulrike Salzner
Wiley Interdisciplinary Reviews: Computational Molecular Science, 2014
View PDFchevron_right
Theoretical studies on the electronic and optical properties of two thiophene–fluorene based π-conjugated copolymers
Ai Ren
Polymer, 2005
View PDFchevron_right
Electronic structure of conducting polymers: Limitations of oligomer extrapolation approximations and effects of heteroatoms
Geoffrey Hutchison
2003
View PDFchevron_right
Density-Functional Theory Study of the Optoelectronic Properties of {\pi}-Conjugated Copolymers for Organic Light-Emitting Diodes
ala darghouth
arXiv (Cornell University), 2017
View PDFchevron_right
New π-Conjugated Oligomers based on pyrrole and anthracene for Applications in Organic Electronics Devices
mohammed Naciri Bennani
Research Square (Research Square), 2022
View PDFchevron_right
Optoelectronic and conductivity of ᴫ-conjugated polymers based on phenylenevinylene, 1,3,4-thiadiazole and thiophene: Suitable candidates for n-type organic semiconductors
Khaled Essalah
Journal of Physical Organic Chemistry, 2017
View PDFchevron_right
Electro-Active PI-Conjugated Oligomers and Polymers: A Molecular Picture of Charge-Transfer Processes
V. Coropceanu
View PDFchevron_right
A Quantum Chemical Study On Structural And Electronic Properties Of New Pi-conjugated Polymer Named Poly(4-methylthioazole-2,5-diyl)
mohamed bouzzine
Advanced Materials Letters, 2012
View PDFchevron_right
Spectral and electronic properties of π-conjugated oligomers and polymers of Poly (o-chloroaniline-co-o-toluidine) calculated with density functional theory
Khurshid Ayub
Synthetic Metals, 2015
View PDFchevron_right
Recent studies of heterocyclic and aromatic conducting polymers
Narendra Kumar
Progress in Polymer Science, 1986
View PDFchevron_right
Comformational Analysis and Electronic Properties of Fluoromethylfuran Oligomers: Semiempirical and DFT Study
Isaiah ajibade ADEJORO
Eclética Química Journal, 2017
View PDFchevron_right
Crystal structure and charge transport properties of poly(arylene-ethynylene) derivatives: A DFT approach
Andrés Oswaldo Garzón Ramos.
The Journal of Chemical Physics, 2013
View PDFchevron_right
Theoretical Studies on the Structural, Electronic and Optical Properties of the New π-conjugated Copolymers Based on Carbazole and Thiophene
M. Bouachrine
Journal of Scientific Research, 2011
View PDFchevron_right
Theoretical investigations on the electronic and optical characteristics of fused-ring homopolymers: comparison of oligomer method and PBC DFT method
Jinwei Gao
2013
View PDFchevron_right
Electrochemical and optical properties of poly(3,4-dimethylthiophene) and its copolymers with 3-methylthiophenein ionic liquids media
Pierre-Henri Aubert
Electrochimica Acta, 2013
View PDFchevron_right
Spectroelectrochemistry of intrinsically conducting aniline–thiophene copolymers
fadi alakhras
Electrochimica Acta, 2005
View PDFchevron_right
Structural and electronic properties of 3,4-ethylenedioxythiophene, 3,4-ethylenedisulfanylfurane and thiophene oligomers: A theoretical investigation
Jordi Casanovas, Jose Iribarren
Synthetic Metals, 2005
View PDFchevron_right
A theoretical investigation of band gaps of conducting polymers with heterocycles
Dr G.K.R.Senadeera
Journal of the National Science Foundation of Sri Lanka, 2011
View PDFchevron_right
Theoretical and Electrochemical Analysis of Poly(3,4-alkylenedioxythiophenes): Electron-Donating Effects and Onset of p-Doped Conductivity
Richard Hennig
The Journal of Physical Chemistry C, 2010
View PDFchevron_right
Investigation of charge carriers in doped thiophene oligomers through theoretical modeling of their UV/Vis spectra
Ulrike Salzner
The journal of physical chemistry. A, 2008
View PDFchevron_right
Optoelectronic and Charge Transport Properties of Oligomers Based on Phenylethynylene Units Linked to Thieno-acenes: A DFT Study
Andrés Oswaldo Garzón Ramos.
Journal of Physical Chemistry C, 2011
View PDFchevron_right
Spectroscopic study of a series of fluorine-pyrrole oligomers using the density functional theory
Hossein Nikoofard
Physical Chemistry: An Indian Journal, 2014
View PDFchevron_right
Tuning optical and electronic properties of poly(4,4'-triphenylamine vinylene)s by post-modification reactions
Boris Minaev
Dyes and Pigments, 2015
View PDFchevron_right
The role of the ethynylene bond on the optical and electronic properties of diketopyrrol pyrrole copolymers
Maria Sigl
View PDFchevron_right
Intrachain versus Interchain Electron Transport in Poly(fluorene-alt-benzothiadiazole): A Quantum-Chemical Insight
Antoine Van Vooren
ChemPhysChem, 2008
View PDFchevron_right
A quantum chemical study on structural and electronic properties of new -conjugated polymer named poly(4-methylthioazole-2.5-diyl)
Si Mohamed Bouzzine
View PDFchevron_right
Experimental and Theoretical Studies of the Electronic Structure of Poly(p-phenylenevinylene) and Some Ring-Substituted Derivatives
Fabienne Meyers
Macromolecules, 1995
View PDFchevron_right
Density functional theory study of neutral and oxidized thiophene oligomers
YAFEI DAI, Estela Blaisten-Barojas
View PDFchevron_right