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Published in 2017 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2016.09.023
Abstract: Abstract Density functional theory (DFT) and time-dependent DFT (TDDFT) calculations based on B3LYP functional were carried out to understand the experimentally observed photophysical processes in the porphyrin-perylene bisimide ( HTPP - PDI ) dyad that…
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Keywords:
study design;
htpp pdi;
triplet;
mechanistic study ... See more keywords