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Electron Transport and Nonlinear Optical Properties of Substituted Aryldimesityl Boranes: A DFT Study

A comprehensive theoretical study was carried out on a series of aryldimesityl borane (DMB) derivatives using Density Functional theory. Optimized geometries and electronic parameters like electron affinity, reorganization energy, frontiers molecular contours, polarizability and hyperpolarizability...

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Detalles Bibliográficos
Autores principales:	Pandith, Altaf Hussain, Islam, Nasarul
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2014
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257584/ https://www.ncbi.nlm.nih.gov/pubmed/25479382 http://dx.doi.org/10.1371/journal.pone.0114125

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