halobenzene
National Institutes of Health
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The C-X bond of halobenzenes (X = Cl, Br) has a dual character, its electron density being depleted in its prolongation and built…
The performance of semiempirical molecular-orbital methods--MNDO, MNDO-d, AM1, RM1, PM3 and PM6--in describing halogen bonding…
Gaseous ammonia, a common toxic industrial compound, is not detected readily in ion trap mass spectrometers because its molecular…
The electrostatic properties of halogen atoms are studied theoretically in relation to their ability of halogen bonding, which is…
Specific rate constants k(E) of the dissociation of the halobenzene ions C6H5X+ --> C6H5+ + X* (X* = Cl, Br, and I) were measured…
Halobenzenes are ubiquitous environmental contaminants, which are hepatotoxic in both rodents and humans. The molecular mechanism…
The potential energy surfaces for the fragmentation of the radical anions of p-nitrochlorobenzene and p- and m…