3~A’ and 3~A” Energy Surfaces for the VS~ CO_2 →VO~ COS Reaction

The title reaction proceeds via a one- and two-step mechanism along the 3A" and 3A’ surfaces, respectively. The 3A’ excited state surface has a lower barrier than the 3A" ground state surface (11.6 and 16.0 kcal/mol, respectively). We suggest that, at low energies, the reaction proceeds along the A’ surface and then makes an intersystem crossing to the A" surface and yields the ground state product VO (3∑-), which may explain the small VO cross-section at low energies observed in the experiment     

QSAR Studies on 7-Substituted Fluoroquinolones

1 INTRODUCTION Fluoroquionlones are potent antibacterials with a broad spectrum of activities against gram-positive and gram-negative organisims and mycobacteria by inhibiting bacterial topoisomerase II(DNA gyra- se)[1].These compounds have been successfully used in clinic for a decade and its market has risen in recent years only a little less than that of penicillins and macrolides[2]. The fluoroquinolones constitute a class of extremely potent and orally active broad spectrum antibact…