NMR AND DFT STUDY OF Co-C BOND ACTIVATION MECHANISM IN VITAMIN B_(12) COMPOUNDS

This report focuses on a theoretical study of the cobalt-cabon bond activation mechanism in Vitamin B12, its co enzyme complexes, and model compounds such as cobalamins (Cbl), cobaloximes and cobalt porphyrins. In particular, emphasis is placed on the nucleotide loop and its role in the base on and base off mechanism.     

Adhesion measurement of thin films by a modified laser spallation technique: theoretical analysis and experimental investigation

Laser driven shocks can lead to a dynamic failure, called film spallation. Here, we use a modified laser spallation set-up to measure the dynamic adhesion of thin films and we propose a novel diagnostic technology. Based on correlation theory, new spallation criteria for characterizing the progressive damage at the interface between the film and the substrate are established, such as interface delamination, film spallation and film expulsion. With the help of the theory, the degree of damage and the dimension of damage (i.e. fracture), such as the minimum width of delamination radius, the thickness of the film etc., are estimated. Experiments are carried out on epoxy/stainless steel and epoxy/Al, and the experimental results show that their dynamic bonding strengths are about 25 MPa and 20 MPa, respectively. The detailed results, analyses and discussions are presented in this paper. Received: 6 February 2001 / Accepted: 3 December 2001 / Published online: 11 February 2002     

CP violation and extra dimensions

It is shown that new sources of CP violation can be generated in models with more than one extra dimension. In the supersymmetric models on the space-time , where the radius moduli have auxiliary vacuum expectation values and the supersymmetry breaking is mediated by the Kaluza–Klein states of the gauge supermultiplets, we analyze the gaugino masses and trilinear couplings for two scenarios and obtain the result that there exist relative CP violating phases among the gaugino masses and trilinear couplings. Received: 10 October 2001 / Published online: 20 December 2001     

Excitation and ionization of sodium clusters by a strong electromagnetic field

This paper reports on a study of the excitation and ionization of small sodium clusters by femtosecond light pulses with a maximum intensity of 5×10¹²–1×10¹⁴ W/cm² and photon energy from 1 to 3 eV made in terms of the density functional theory and jellium model through direct numerical solution of the Kohn-Sham time-dependent equation. The dependence of the degree of ionization on the intensity, duration, and frequency of the light pulses, as well as on the cluster size, is studied. The efficiency of the processes is shown to be determined primarily by the field intensity rather than by the total pulse energy.     

Propagation of mesons in asymmetric nuclear matter in a density-dependent coupling model

We study the propagation of the light mesons σ,ω,ρ, and a₀(980) in dense hadronic matter in an extended derivative scalar coupling model. Within the scheme proposed it is possible to unambiguously define effective density-dependent couplings at the Lagrangian level. We first apply the model to study asymmetric nuclear matter with fixed isospin asymmetry, and then we pay particular attention to hypermatter in β-equilibrium. The equation of state and the potential contribution to the symmetry coefficient arising from the mean-field approximation are investigated. Received: 16 October 2001 / Accepted: 10 January 2002     

Synthesis and structures of nitroxyalkyl methylphosphonates

The reactions of ethylene glycol mononitrate and glycerol 1,3-dinitrate with methylphosphonic dichloride afforded new nitroxyalkyl methylphosphonates.     

High-energy electron pair production on oxygen

Electron-positron pair production cross sections are calculated for 50-MeV electrons incident on an oxygen nucleus. The symmetric coplanar cross sections are emphasized. Neglecting exchange, the spectra of forward-scattered projectile electrons is numerically calculated. In the extreme relativistic and nonrelativistic limits for the produced pair kinetic energies, calculated cross sections are similar to those of Bhabha.     

Transformation of the excitation energy in excimers and exciplexes of aromatic hydrocarbons

Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 54, No. 1, pp. 26–32, January, 1991.     

Dynamics of a two-frequency parametrically driven duffing oscillator

Summary We investigate the transition from two-frequency quasiperiodicity to chaotic behavior in a model for a quasiperiodically driven magnetoelastic ribbon. The model system is a two-frequency parametrically driven Duffing oscillator. As a driving parameter is increased, the route to chaos takes place in four distinct stages. The first stage is a torus-doubling bifurcation. The second stage is a transition from the doubled torus to a strange nonchaotic attractor. The third stage is a transition from the strange nonchaotic attractor to a geometrically similar chaotic attractor. The final stage is a hard transition to a much larger chaotic attractor. This latter transition arises as the result of acrisis, the characterization of which is one of our primary concerns. Numerical evidence is given to indicate that the crisis arises from the collision of the chaotic attractor with the stable manifold of a saddle torus. Intermittent bursting behavior is present after the crisis with the mean time between bursts scaling as a power law in the distance from the critical control parameter; τ ∼ (A-A_c)^-α. The critical exponent is computed numerically, yielding the value α=1.03±0.01. Theoretical justification is given for the computed critical exponent. Finally, a Melnikov analysis is performed, yielding an expression for transverse crossings of the stable and unstable manifolds of the crisis-initiating saddle torus.