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Chem. shift anisotropy (CSA) tensor parameters have been detd. for the protonated carbons of the purine bases in an RNA kissing complex in soln. by extending the model-independent approach [Fushman, D., Cowburn, D. (1998) J. Am. Chem. Soc. 120, 7109-7110]. ...
The aim of this thesis is to supply a theoretical study of the interaction mechanisms between quantum dots beyond the simple picture of macroatoms. Coulomb interaction between excitons, exciton-phonon interaction as well as radiative interaction are, in pa ...
A heteronuclear double-resonance (HDR) method based on MLEV-32 or WALTZ-32 pulse sequences has been designed for the investigation of relaxation of heteronuclear multiple-quantum (MQ) coherences. The theoretical analysis of this technique uses average Hami ...
A review. Manipulation of the quantum properties of matter can influence the course of biochem. reactions. Can biol. functions, such as vision or photosynthesis, that are driven by incoherent phenomena have anything to do with quantum mechanics, where the ...
In this Note we propose a stabilized explicit coupling scheme for fluid-structure interaction based on Nitsche's method. The scheme is stable irrespective of the fluid-solid density ratio. Numerical experiments show that optimal time accuracy can be obtain ...
In this thesis we describe a path integral formalism to evaluate approximations to the probability density function for the location and orientation of one end of a continuum polymer chain at thermodynamic equilibrium with a heat bath. We concentrate on th ...
Due to the Heisenberg uncertainty principle, various classical systems differing only on the scale smaller than Planck's cell correspond to the same quantum system. We use this fact to find a unique semiclassical representation without the Van Vleck determ ...
It was found recently that processes of multidimensional tunneling are generally described at high energies by unstable semiclassical trajectories. We study two observational signatures related to the instability of trajectories. First, we find an addition ...
A method is developed to compute the nonadiabatic coupling vectors (NACVs) between electronic ground and excited states as well as between any possible pair of excited states within the framework of linear response time-dependent density functional theory ...
A recent method for robust fixed-order H-infinty controller design by convex optimization proposed in [1] is investigated in this paper for the tuning of multivariable controllers. Linear Time-Invariant Multi-Input Multi-Output (LTI-MIMO) systems represent ...