ListarQF - Contribuciones a congresos científicos por tema "dft calculations"
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Evaluating the Role of Intermolecular Interactions in pi-conjugated Materials: What can we learn from DFT calculations and Raman Spectroscopy
(2019-05-29)For practical applications in sensors, dynamic covalent chemistry and molecular (photochromic) switches, soft conjugated materials can be envisaged as promising functional materials.1 To advance in this research field, ... -
SpectroscopicTechniques and DFT Calculations to Understand Charge Transport Mechinisms in OFETs
(2019-02-11)The organic electronics research field has advanced tremendously in the last decades, but there is still an incomplete understanding of the main mechanisms governing charge injection and transport in such devices. The ...