Computational Approaches for Organic Semiconductors: From Chemical and Physical Understanding to Predicting New Materials.
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DOI: 10.1021/acs.chemrev.2c00704
Abstract: While a complete understanding of organic semiconductor (OSC) design principles remains elusive, computational methods─ranging from techniques based in classical and quantum mechanics to more recent data-enabled models─can complement experimental observations and provide deep physicochemical insights… read more here.
Keywords: computational approaches; semiconductors chemical; approaches organic; chemical physical ... See more keywords