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Published in 2018 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-018-3650-7
Abstract: Noncentrosymmetric π conjugated systems with suitable electron donor acceptor groups play a crucial role in material NLO activity. The influence of an electron donating mono substituent at the para position of the phenylene ring of…
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Keywords:
first order;
substituent;
order hyperpolarizability;
electron ... See more keywords