Correlating cluster size and NLO response of complexes aggregated with bifurcated metal bonds: a DFT study
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DOI: 10.1007/s11224-017-1009-9
Abstract: In the present work, the cooperativity effect on the NLO response of clusters aggregated with bifurcated metal bonds is reported by DFT calculations at the CAM-B3LYP/6-311++G(d,p) level. Linear clusters of (LiN(CHO)2)1-5 and (NaN(CHO)2)1-5 which are… read more here.
Keywords: metal bonds; nlo response; bifurcated metal; cluster size ... See more keywords