Can the hybrid meta GGA and DFT-D method
Can the hybrid meta GGA and DFT-D methods describe the stacking interactions in conjugated polymers?
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Ahmed Dkhissi; Jean Marie Ducรฉrรฉ; Ralf Blossey; Claude Pouchan
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Article
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2009
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John Wiley and Sons
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English
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## Abstract Newly developed hybrid meta density functionals and density functionals augmented by a classical London dispersion term have been systematically applied for the description of stacking energy and intermolecular distance of thiophene dimer and substituted thiophene dimer. The performance