Stacking of oligo- and polythiophene cations in solution: Surface tension and dielectric saturation

The stacking of positively charged (or doped) terthiophene oligomers and quaterthiophene polymers in solution is investigated applying a recently developed unified electrostatic and cavitation model for first-principles calculations in a continuum solvent. The thermodynamic and structural patterns o...

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Publicado: 2006
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Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v124_n19_p_Scherlis
http://hdl.handle.net/20.500.12110/paper_00219606_v124_n19_p_Scherlis
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