Ivan I. Oleinik

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The accuracy of the analytic bond-order potentials ~BOP’s! that were derived in the previous paper within the tight-binding ~TB! formalism is studied for the case of diamond, graphite, and the hydrocarbon molecules. The simplified four-level variant, BOP4S, is found to reproduce the TB bond orders of the C-H and C-C s bonds to better than 6% due partly to(More)
Novel analytic bond-order potentials (BOPs) may be derived for atomistic simulations by coarse-graining the electronic structure within the orthogonal two-centre tight-binding (TB) representation. We show that these BOPs allow the concept of single, double, triple and conjugate bonds in carbon systems to be quantified, so that they provide the first(More)
The results of identification of 710 clinical strains of anaerobic microorganisms isolated from the pathological foci of patients with maxillofacial diseases are presented. The species composition of the microflora associations in the cases with abscesses, phlegmon, lymphadenitis, osteomyelitis and parodontitis is described. Along with a high frequency of(More)
Fitness of various commercial nutrient media, manufactured in the USSR, for isolation and cultivation of fermentation-producing actinomyces was under study. The media were tested in two stages. Reference and newly isolated actinomyces cultures were examined at stage 1, clinical material at stage 2. Hottinger's blood agar was found the best for maintaining(More)