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Chemical sensitivy

Gilberto Anders, Itamar Borges
Important explosives of practical use are composed of nitroaromatic molecules. In this work, we optimized geometries and calculated the electron density of 17 nitroaromatic molecules using the Density Functional Theory (DFT) method. From the DFT one-electron density matrix, we computed the molecular charge densities, thus the electron densities, which were then decomposed into electric multipoles located at the atomic sites of the molecules using the distributed multipole analysis (DMA). The multipoles, which have a direct chemical interpretation, were then used to analyze in details the ground state charge structure of the molecules and to seek for correlations between charge properties and sensitivity of the corresponding energetic material...
August 18, 2011: Journal of Physical Chemistry. A
D W Smith, P Boerner
In vitro deoxyribonucleic acid (DNA) synthesis systems based on an earlier system using pencillin have been developed which use osmotic lysis of lysozyme-formed spheroplasts of Escherichia coli cells embedded in an agarose matrix. An adenosine 5'-triphosphate (ATP)-dependent semiconservative mode, or replicative mode, of in vitro DNA synthesis is exhibited which is sensitivie to nalidixic acid. These systems require growth of the agar-embedded cells in a preincubation medium before spheroplast formation and osmotic lysis...
April 1975: Journal of Bacteriology
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