Electronic structures and second hyperpolarizabilities of alkaline earth metal complexes end-capped with NA2 (A = H, Li, Na)
2016 ◽
Vol 18
(18)
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pp. 12505-12520
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Keyword(s):
The ground state structures and NLO properties of a number of alkaline earth metal complexes end-capped with NA2 groups (A = H, Li, Na) are calculated by employing the CAM-B3LYP, wB97XD and B2PLYP functionals along with MP2 and CCSD(T) for 6-311++G(d,p), 6-311++G(3df,3pd), aug-cc-pVTZ, aug-pc-2 and Hypol basis sets.
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2009 ◽
Vol 362
(9)
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pp. 3351-3356
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Keyword(s):
2004 ◽
Vol 74
(3)
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pp. 438-445
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1991 ◽
Vol 30
(4)
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pp. 428-430
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Keyword(s):
2003 ◽
Vol 101
(9)
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pp. 1345-1361
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