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Theoretical study on superalkali (Li3) in ammonia: novel alkalides with considerably large first hyperpolarizabilities

Wei-Ming Sun,a   Di Wu,a   Ying Li*a and   Zhi-Ru Lia  
Corresponding authors
Institute of Theoretical Chemistry, State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130023, People's Republic of China
Dalton Trans., 2014,43, 486-494

DOI: 10.1039/C3DT51559A
Received 12 Jun 2013, Accepted 24 Sep 2013
First published online 24 Sep 2013
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