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Theoretical study of the static first hyperpolarizability of azo-enaminone compounds

โœ Scribed by de Oliveira, H. C. B.; Fonseca, T. L.; Castro, M. A.; Amaral, O. A. V.; Cunha, S.

Book ID
121824512
Publisher
American Institute of Physics
Year
2003
Tongue
English
Weight
228 KB
Volume
119
Category
Article
ISSN
0021-9606

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โœ Shih-I Lu ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 602 KB

Various hybrid functionals (B3LYP, B97-2, PBE0, BMK, BH&HLYP, CAM-B3LYP, and LC-xPBE) implemented in density functional theory were applied to give estimate of static first hyperpolarizabilty (b 0 ) of (E)benzaldehyde phenylhydrazone designated as (E)-BPH. Against those of MP2 computations as a func