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physics.chem-ph2017
Electronic structure and non-linear optical properties of organic photovoltaic systems with potential applications on solar cell devices: A DFT approach
Alfredo Guillén-López, Miguel Robles, Jesús Muñiz
The use of eco-friendly materials for the environment has been addressed as a critical issue in the development of systems for renewable energy applications. In this regard, the in…
physics.chem-ph2017
Density Functional study on the transesterification of triacetin assisted by cooperative weak interactions via a gold heterogeneous catalyst: Insights into Biodiesel production mechanisms
Cornelio Delesma, Roger Castillo, P. Y. Sevilla-Camacho +2
A Density Functional study predicting a heterogeneous-catalyzed reaction giving rise to biodiesel, was performed. Triacetin was used as a model of triglyceride in the presence of a…