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Electronic Structure Analysis of the Nonlinear Optical Materials 4-Nitropyridine N -Oxide (NPO) and 3-Methyl-4-nitropyridine N -Oxide (POM)

✍ Scribed by Glaser, Rainer; Chen, Grace Shiahuy

Book ID
126953865
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
240 KB
Volume
9
Category
Article
ISSN
0897-4756

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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