On the Nature of Interplay among Major Flexibility Channels in Molecular Rotors
As a part of our interest in the excited-state dynamics of flexible materials, we have undertaken a theoretical investigation to the photo-induced reactions of 2-[4-(dimethylamino)benzylidene]malononitrile (BMN) by a combination of the density functional theory, its extended time-dependent (TD-DFT)...
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| Format: | Article |
| Language: | English |
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Hindawi Limited
2019-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2019/8359527 |