Existence of standing waves for dirac fields with singular nonlinearities

We prove the existence of stationary states for nonlinear Dirac equations of the form (E) $$i\sum\limits_{\mu = 0}^3 {\gamma ^\mu \partial _\mu \psi - M\psi + F\left( {\bar \psi \psi } \right)\psi = 0,} $$ whereM>0 andF is a singular self-interaction. In particular, in the model case whereF(s)=?s ^?α, for some 0<α<1, and for every ω>M, there exists a solution of (E) of the form ψ(t, x)=e ^iωt?(x), wherex ₀=t andx=(x ₁,x ₂,x ₃), such that ? has compact support. IF 0<α<1/3, then ? is of classC ¹. If 1/3<α<1, then ? is continuously differentiable, except on some sphere {|x|=R}, where |??| is infinite.     

Bounded speed of propagation for solutions to radiative transfer equations

The Radiative Transfer Equation is the nonlinear transport equation

Generalized solutions of a class of nuclear-space-valued stochastic evolution equations

Generalized solutions are defined for stochastic evolution equations of the formdY _t =A ^* Y _t dt + dZ _t on the nuclear triplel(R ^d ) L²(R ^d ) l(R ^d ), whereA does not mapl(R ^d ) into itself. One case which is treated in detail involvesA = –(–) ^/2 ,0 < < 2. This example arises as the Langevin equation for the fluctuation limit of a system of particles migrating according to a symmetric stable process and undergoing critical branching in a random medium.The research of D. A. Dawson was supported by the Natural Sciences and Engineering Research Council of Canada. L. G. Gorostiza's research was supported in part by CONACyT Grants PCEXCNA-040319 and 140102 G203-006, Mexico.     

Self-assembled peptide tubelets with 7 A pores

Here we report the preparation and structural characteristics of self-assembling peptide tubelets composed of 32-membered rings formed of alternating alpha-amino acids and cis-3-aminocyclohexanecarboxylic acids. The tubelets possess a partial hydrophobic core environment, provided by the projection of the cyclohexane C2 methylene moiety into the lumen, and a Van der Waals pore diameter of about 7 A.     

Calculation of Franck-Condon factors including anharmonicity: simulation of the C2H4+X2B3u<--C2H4X1A(g) band in the photoelectron spectrum of ethylene

Our new simple method for calculating accurate Franck-Condon factors including nondiagonal (i.e., mode-mode) anharmonic coupling is used to simulate the C2H4+X2B3u<--C2H4X1A(g) band in the photoelectron spectrum. An improved vibrational basis set truncation algorithm, which permits very efficient computations, is employed. Because the torsional mode is highly anharmonic it is separated from the other modes and treated exactly. All other modes are treated through the second-order perturbation theory. The perturbation-theory corrections are significant and lead to a good agreement with experiment, although the separability assumption for torsion causes the C2D4 results to be not as good as those for C2H4. A variational formulation to overcome this circumstance, and deal with large anharmonicities in general, is suggested.     

Structural Determination of Bis-histidinopeptide Zinc Complexes by 15N NMR (HMBC) Spectra

Polynitrogen receptors such as bis-histidine peptides possess strong ability to bind metals, which play much important roles in medicinal, bioinorganic, bioorganic, biomimetic and supramolecular chemistry. In order to investigate the interaction of these hosts with a variety of neutral, cationic and anionic guests, several techniques, for example, NMR,potentiometric tirations and monocrystal X-ray diffraction have been employed. Among them NMR is a powerful technique for unraveling the structure of polynitrogen receptors as long as they are in solution where the rapid tumbling of molecules averages out the anisotropies such as chemical shift and dipole-dipole interactions. General 1H NMR approach has been widely used for the study of host-guest interaction, but it is difficult for the accurate measurement in complexes structures, particularly metal complexes structures in which how the polynitrogen receptors bind metal, and which nitrogen binds metal and so on.     

Analysis of spin states, spin barriers, and trans-effects involved in the coordination and stabilization of dinitrogen by biomimetic iron complexes

Coordination of dinitrogen to Sellmann-type iron (II) complexes in a sulfur-dominated coordination sphere, which emulates the environment of iron centers in the FeMo-cofactor of nitrogenase, is analyzed with respect to spin states, spin barriers, and the effect of trans-ligands. Such detailed investigations became only recently feasible when the reliability of density functional methods, which are the only quantum chemical methods capable of describing large transition metal complexes, could significantly be improved for the calculation of energies for states of different spin. It is found that the actual binding energy of dinitrogen is of sufficient magnitude for a reasonably strong fixation of N₂ by Sellmann-type coordination compounds. However, potential fixation is determined by additional factors which reduce the binding energy. One factor is the change in spin state of the N₂-free metal fragment, which lowers the total energy and quenches the thermodynamic stabilization effect of the binding energy. In addition, the metal fragment rearranges and gains even more stabilization energy for the un-coordinated state. Apart from these thermodynamical effects, the existence of spin barriers, which must be overcome upon binding of dinitrogen, leads to kinetical effects, which cannot be neglected.