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991.
992.
We construct three new infinite families of hypohamiltonian graphs having respectively 3k+1 vertices (k?3), 3k vertices (k?5) and 5k vertices (k?4); in particular, we exhibit a hypohamiltonian graph of order 19 and a cubic hypohamiltonian graph of order 20, the existence of which was still in doubt. Using these families, we get a lower bound for the number of non-isomorphic hypohamiltonian graphs of order 3k and 5k. We also give an example of an infinite graph G having no two-way infinite hamiltonian path, but in which every vertex-deleted subgraph G - x has such a path. 相似文献
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997.
An extension of a simplified method for molecular correlation energy calculations to molecules containing third row atoms is presented. In addition to the use of pseudo-potentials in the calculations, the consequences of this extension on the different components of the energy partition which is the basic idea of the method, is analysed. Particular emphasis is placed on the specific role played by the 3d orbitals in each of the energy components. First, at the zeroth order, the energy is found to be very sensitive to the optimization of the 3d polarization functions. Secondly, the internal correlation energy, calculated by CI, requires the optimization of distinct 3d correlation orbitals to describe adequately the strong near-degeneracy effects that occur within the valence space. Finally it is shown that the 3d orbitals contribute partially to the non-internal correlation energy and that, the atoms-in-molecule structures corresponding typically to all-external contributions are negligible. The concept of error energy is introduced in place of the non-internal correlation energy: it includes the relativistic contributions within the semi-empirical tables. Such tables are presented for second row atoms and for the chlorine atom. From these tables, predicted values for some atomic term energies, experimentally undetermined, are derived. The methodological tests are limited here to the chlorine atom which is chosen for further applications in the next paper of this series. The conclusions concerning the applicability of the method to third row atoms are however quite general.Boursier I.R.S.I.A 相似文献
998.
Nor-Mycosporin Glutamin, a new unstable compound isolated from sporulating cultures of , has the structure (I). 相似文献
999.
We study three elliptic problems depending on two small parameters (? = homogenization parameter and δ = perturbation parameter which causes non uniform ellipticity). In each case, the homogenized operator corresponding to the second order operator is independent of the way (?, δ) → (0, 0), but the convergence results and the limit solution do depend on the relative size of ? and δ; the relevant parameter is δ??2. 相似文献
1000.
Rèsumè Les auteurs n'ont pu mettre en évidence la bande d'absorption infrarouge du groupement CO vers 1800 cm–1 relative au chlorure de formyle hypothétique.
Summary The authors have not been able to establish the infrared absorption band of the CO group in the neighborhood of 1800 cm–1 relative to the hypothetical formyl chloride.
Zusammenfassung Die der Carbonylgruppe im hypothetischen Formylchlorid zugehörige Absorptionsbande bei 1800 cm–1 ließ sich nicht nachweisen.相似文献