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Theoretical characterization of molecular complexes formed between triplet vinyl nitrene and lewis acids
(Springer, 2015)
In the current work, the complexes formed between triplet vinyl nitrene (3CH2CHN) and some Lewis acids YA (LiH, LiF, BeH2, BeF2, BH3, BF3, ClH, ClF, HCl, HF) have been investigated through calculations of the electronic ...
Double hole lump interaction between halogen atoms
(American Chemical Society, 2015-03-31)
In this paper a theoretical study has been
carried out to investigate the nature of the unusual halogen−
halogen contacts in the complexes R−X···X−R (with R = −H,
−Cl, −F and X = Cl, Br, I). AIM, NBO, and MEP analyses
have ...
Conformational and electronic study of sex pheromone of the pine processionary moth and some related derivative compounds with modification in the polar group
(Asociación Química Argentina, 2008)
We report a conformational and electronic study of the sex pheromone of the pine
processionary moth, Thaumetopoea pytiocampa, the (Z)-13-hexadecen-11-ynyl acetate (1) as
well as the electronic properties of a few analogues, ...