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Modelling structural properties of cyanine dye nanotubes at coarse-grained level
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Strategies for enhancing the dielectric constant of organic materials
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Q-Force : quantum mechanically augmented molecular force fields
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Mechanistic investigations into the catalytic levulinic acid hydrogenation, insight in H/D exchange pathways, and a synthetic route to d(8)-gamma-valerolactone
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- Journal Article
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Fullerene derivatives with oligoethylene-glycol side chains : an investigation on the origin of their outstanding transport properties
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Amphipathic side chain of a conjugated polymer optimizes dopant location toward efficient N-type organic thermoelectrics
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How ethylene glycol chains enhance the dielectric constant of organic semiconductors : molecular origin and frequency dependence
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Resolving donor-acceptor interfaces and charge carrier energy levels of organic semiconductors with polar side chains
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N-type organic thermoelectrics : demonstration of ZT > 0.3
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Can the dielectric constant of fullerene derivatives be enhanced by side-chain manipulation? : a predictive first-principles computational study