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Molecules and polymers

L Beverina, G A Pagani, Pi-Conjugated Zwitterions as Paradigm of DonorAcceptor Building Blocks in Organic-Based Materials, ACR 47, 319 (2014)

W Barford, Electronic and optical properties of conjugated polymers (OUP, 2013)

A Ferretti, G Mallia, L Martin-Samos, G Bussi, A Ruini, B Montanari, N M Harrison, Ab initio complex band structure of conjugated polymers: Effects of hydrid density functional theory and GW schemes, PRB 85, 235105 (2012)

J Hankache, O S Wenger, Organic Mixed Valence, CR 111, 5138 (2011)

Kertesz M, Choi C H, Yang S, Conjugated polymers and aromaticity, CR 105, 3448 (2005)

Kirova N, Brazovskii S, Conjugated polymers at the verge of strongly correlated systems and 1D semiconductors, Synthetic Metals 141, 139 (2004)

Salaneck W R, Friend R H, Bredas J L, Electronic structure of conjugated polymers: consequences of electron-lattice coupling, PR 319, 231 (1999)

Ladik J J, Polymers as solids: a quantum mechanical treatment, PR 313, 171 (1999)


J L Bredas, Y Li, H Sun, C Zhong, Why Can High Charge-Carrier Mobilities be Achieved Along pi-Conjugated Polymer Chains with Alternating Donor-Acceptor Moieties?, ATS 1, 1800016 (2018)

J E Coughlin, A Zhugayevych, M Wang, G C Bazan, S Tretiak, Charge delocalization characteristics of regioregular high mobility polymers, Chem Sci 8, 1146 (2017) – doi

L V Slipchenko, T E Munsch, P G Wenthold, A I Krylov, 5-Dehydro-1,3-quinodimethane: A Hydrocarbon with an Open-Shell Doublet Ground State, Angew Chem Int Ed 43, 742 (2004)

Descriptors

A Zhugayevych, O Postupna, H L Wang, S Tretiak, Modification of optoelectronic properties of conjugated oligomers due to donor/acceptor functionalization: DFT study, CP 481, 133 (2016) – doi, zip

A Irfan, A G Al-Sehemi, M Sultan Al-Assiri, Push-pull effect on the electronic, optical and charge transport properties of the benzo[2,3-b]thiophene derivatives as efficient multifunctional materials, CTC 1031, 76 (2014)

V Ediz, J L Lee, B A Armitage, D Yaron, Molecular Engineering of Torsional Potentials in Fluorogenic Dyes via Electronic Substituent Effects, JPCA 112, 9692 (2008)

J Y Lee, K S Kim, B J Mhin, Intramolecular charge transfer of p-conjugated push-pull systems in terms of polarizability and electronegativity, JCP 115, 9484 (2001)