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Calculations of the geometries, electronic structures and nonlinear second-order optical susceptibilities of spiroannelated quinone-type methanofullerenes

✍ Scribed by Wei Fu; Ji-Kang Feng; Ge-Bo Pan; Xiang Zhang


Publisher
Springer
Year
2001
Tongue
English
Weight
222 KB
Volume
106
Category
Article
ISSN
1432-2234

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## Abstract The static and the second harmonic generation second‐order nonlinear susceptibilities, χ^(2)^, of 3‐methyl‐4‐nitropyridine __N__‐oxide, 2‐carboxylic acid‐4‐nitropyridine‐1‐oxide, 2‐methyl‐4‐nitroaniline, and __m__‐nitroaniline crystals are calculated using a model that combines accurate