Molecular mechanics of organic halides. III. Fluorinated olefins

A molecular mechanical force field for fluorinated ethylenes and propylenes is described. The field computes geometries, dipole moments, and energy differences between isomers and rotamers. Component analysis indicates that “classical” strains alone (skeletal, nonbonded, electrostatic) cannot account for energy relationships. The discussion is supplemented by a semiempirical quantum chemical comparison of cis- and trans-FCH?CHF and of gauche- and anti-FCH₂CH₂F.     

Nondigestible oligosaccharides as dietary fiber

An overview is presented of the most important oligosaccharides that are classified as dietary fiber. Their occurrence and structures as well as their various physiological effects are described. The scientific evidence for health effects, associated with these physiological effects, along with the applications in the food industry, are also discussed.     

The thermodynamic properties of acetals+heptane mixtures at 298.15 K

Excess enthalpies and excess volumes were determined at 298.15 K for: dimethoxymethane+heptane, diethoxymethane+heptane, 1,1-dimethoxyethane+heptane, 1,1-diethoxyethane+heptane, 2,2-dimethoxypropane+heptane and 1,1-diethoxypropane+heptane.     

Coherence effects in low energy Na*(3p)+Na+ scattering: Experiment and semiclassical calculations

Pronounced polarization effects have been observed in inelastic collisions of laser state-prepared Na^*(3p,M _L) with Na⁺ leading to Na^*(3d) for the energy rangeE _CM=20–45 eV. Using linearly polarized light the dependence of the inelastic process on the alignment of the electronic charge cloud of the Na^*(3p) prior to the collision has been measured. In studies with left and right hand circularly polarized light the angular momentum transferred in the collision process has been determined. The results are compared with similar data for the 3p→3s deexitation process studied previously [6]. The density matrix of the Na^*(3p) state has been evaluated with respect to the collisional excitation to Na^*(3d). Semiclassical calculations based on the coupled channel impact parameter approximation using pseudopotentials [7] and nonadiabatic rotational coupling elements for the Na ₂ ^* system [12] have been performed. The agreement with the experimental results is good, in particular for the higher collision energies.