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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Detalles Bibliográficos
Autores principales: Scherlis, D.A., Fattebert, J.-L., Marzari, N.
Formato: Artículo publishedVersion
Publicado: 2006
Materias:
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00219606_v124_n19_p_Scherlis
Aporte de:Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires Ver origen

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