The crystal structure of the title compound, C(6)H(11)NO(5), establishes the relative configuration at the four stereogenic centres; the absolute configuration is determined by the use of d-glucuronolactone as the starting material for the synthesis. Mol-ecules are linked by inter-molecular O-H⋯O and N-H⋯O hydrogen bonds into a three-dimensional network, with each mol-ecule acting as a donor an...

totoday’s market place is increasingly dynamic and volatile. in this area supply network issues recently have attracted a lot of attention from industrial practitioners and academics worldwide. chaos theory is the study of complex, nonlinear, dynamic systems. for chaotic systems, a tiny change in conditions may result in an enormous change in system output, whereas substantial changes in condit...

Z. Naturforsch. 54 b, 1529-1531 (1999); received October 28, 1999 Tris(arsino)amine, Nitrogen Configuration, Planar Nitrogen Configuration, X-Ray Data, Density Functional Calculations The molecular structure of tris(dimethylarsino)amine has been determined by X-ray diffrac­ tion methods. The compound has a planar AS3N core unit with a paddle-wheel conformation of the three MeiAs groups. This st...

We identify the dominant collisional decoherence mechanism which serves to stabilize and superselect the configuration states of chiral molecules. A high-energy description of this effect is compared to the results of the exact molecular scattering problem, obtained by solving the coupled-channel equations. It allows us to predict the experimental conditions for observing the collisional suppre...

We study the interaction between vacancies in a two-dimensional van der Waals crystal by molecular dynamics simulation. We find that the vacancy–vacancy interaction is attractive at short distances, but its binding energy is not enough to keep the pair bounded at the melting region where the vacancies are more likely to be created. c © 2007 Elsevier Ltd. All rights reserved. PACS: 61.72.-y; 61....

In this article we use the recently developed perturbed matrix method (PMM) to investigate the effect of conformational fluctuations on the electronic properties of heme in Myoglobin. This widely studied biomolecule has been chosen as a benchmark for evaluating the accuracy of PMM in a large and complex system. Using a long, 80-ns, molecular dynamics simulation and unperturbed Configuration Int...

In the title compound, C(9)H(11)BrN(2)O(5), the ribofuran-ose ring has a C2-exo, C3-endo twist configuration and is attached to the uracil unit via a β-N(1)-glycosidic bond. The crystal structure is stabilized by two inter-molecular O-H⋯O inter-actions and one inter-molecular N-H⋯O inter-action.

The title compound, C(27)H(29)N(3)O(2), adopts an E configuration with respect to the C=N bond. The molecular structure is stabilized by inter-molecular O-H⋯N inter-actions between a hy-droxy H atom and the N atom on the quinoline ring.

The title mol-ecule, C(12)H(16)N(2)O(5), adopts a trans configuration with respect to the C=N bond. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains in [001], and weak inter-molecular C-H⋯O inter-actions further link the chains into corrugated layers parallel to the bc plane.