Characteristic modes

P. Dauber-Osguthorpe and D. J. Osguthorpe. Partitioning the motion in molecular dynamics simulations into characteristic modes of motion. J. Comp. Chem., 14 1259-1271, 1993. 

Dauber-Osguthorpe P and D J Osguthorpe 1993. Partitioning the Motion in Molecular Dynamii Simulations into Characteristic Modes of Motion. Journal of Computational Chemistry 14 1259-127... 

The actual field rotor operates with characteristic mode shapes significantly different than those that occur during a standard production balance. 

The characteristic bands in the IR spectra of thiophenes have been recorded. " 2-Substituted thiophenes show ring-stretching frequences at 1537-1509, 1444-1402, and 1365-1339 cm" which have been assigned to characteristic modes of vibration. The hydrogen in-plane deformation bands occur at 1086-1077 and at 1053-1031 cm. The... 

The characteristic mode of corrosion of some alloys may be the formation as a corrosion product of a redeposited layer of one of the alloy constituents, as in the case of the brasses that dezincify, or of a residue of one of the components, as in the case of the graphitic corrosion of cast iron. Particularly in the case of the dezincified brass, the adherent copper is not likely to be removed with the other corrosion products, and therefore the mass-loss determination will not disclose the total amount of brass that has been corroded. This is especially important because the copper layer has very little strength and ductility and the extent of weakening of the alloy will not be indicated by the mass loss. In these cases, also, the mass-loss determinations must be supplemented by, or replaced by, mechanical tests or metallographic examination, or both, to reveal the true extent of damage by corrosion. Difficulties in obtaining accurate mass losses of heavily graphitised specimens have been reported... 

Examples of crystalline associates where dimethyl sulfoxide is involved as one of the heteromolecular constituents are known in an appreciable number1. Certainly the associate between dimethyl sulfoxide and trimesic acid 84 (cf. Chapter 5 in Vol. 140 of this series) is one of the important individual cases. Characteristic modes of association between the carboxylic hosts discussed here and dimethyl sulfoxide are illustrated in Fig. 24. Pertinent geometry data are listed in Tables 17 and 18. One may realize from Fig. 24 that the fundamental mode of association of the host acids 20, 26, 37, and 41 is the formation of discrete H-bonded islands of host and (usually) one guest molecule. 

Energy measurements indicating three characteristic modes of detonation... 

It is seen that the 5CH3 as and <5CH3 s modes have relatively narrow wavenumber spreads between metals, and therefore these are particularly useful characteristic modes for identifying this surface species. pCH3 s and fC-M show particularly wide wavenumber variabilities. The values of fCH3 5 and of pC-M for Pt and Ru are reasonably typical for such modes in metal coordination compounds involving methyl ligands (Table III, Part I also 163), and there seems to be no reason to doubt that these CH3... 

Assignments of the frequencies observed187 in the spectra of D-glucose in aqueous solutions permitted determination, from the ratio of intensities of characteristic modes of vibrations, of the proportions of a and f3 anomers at equilibrium, which were 32 and 68%, respectively. The particular behavior... 

Gaseous emission of Infrared radiation differs in character from solid emission in that the tenner consists of discrete spectrum lines or bands, with significant discontinuities, while the latter shows a continuous distribution of energy throughout the spectrum. The predominant source or molecular radiation in the infrared is the result of vibration of the molecules in characteristic modes. Energy transitions between various stales of molecular rotation also produce infrared radiation. Complex molecular gases radiate intricate spectra, which may be analyzed to give information of the nature of the molecules or of the composition of the gas. 

The key assumption of this theory is that there is a continuum of cognitive style, ranging from high adaption to high innovation, on which people can be placed dependent on the characteristic mode in which they solve problems (create or make decisions). The Kirton Adaption-Innovation Inventory (KAI) is the psychometric measurement devised to locate respondents on this continuum. It is concerned with the different ways in which people think, and particularly the way they show their creativity, solve problems and make decisions. Three sub traits, which are measured to give a total score, are explained as follows [C-51] ... 

On the other hand, the N20(inc.,0)-N2 response on the reduced surface indicated a typical overshoot mode with an instantaneous maximum before reaching zero. This characteristic mode strongly suggests that N20 is directly decomposed on active sites, and that the active sites are not regenerated resulting from the irreversible adsorption of the formed oxygen atoms. This is easily presumed from the relation between the mode of transient response curve and reaction mechanism [2]. 

The indicated boundary conditions imply the forcing of the system by thermal input on the wall, while the disturbances decay in the far stream, as y —> (X). Equations (6.4.10)-(6.4.11), together with the boundary conditions (6.4.12)-(6.4.13) reveal an interesting phenomenon that the temperature field given by (6.4.11), decouples from the velocity field in the free stream (y —> cxd), as T 0 there. The characteristic modes at free stream are given by where S = [k" + iRePr k — ct )] /. However, the... 

Hu, X., and Jacobi, A. M. (1996) The Inter Tube Falling Film Part 1- Flow Characteristics, Mode Transition, and Hysteresis, Journal of Heat Tranter, Vol. 118, pp. 616-625. 

B. The antimetabolite blocks the enzyme-catalyzed reaction If the antimetabolite, after complexing with the enzyme, cannot complete the catalytic reaction, then its action is that of a typical enzyme inhibitor. While this is the characteristic mode of action of non-classical antimetabolites (see Section 3.1.),... 

For NMA it made sense to define CO ib (amide IV), CO ob (amide VI), CN t (amide VII), and C CN d and CNC d as characteristic modes. Such a classification is too simplistic for a polypeptide chain, where many of these modes, together with NC C d and C b, mix strongly and very differently depending on the main-chain conformation and the side-chain structure. 

IR-spectra for zirconium dioxide samples obtained by the sol-gel method with and without 10% Cr203 shows that modification of zirconium dioxide by Cr203 leads to local IR vibrations, which cannot be attributed to characteristic modes of the Zr02 and Cr203 frameworks. The finding of bands at 800, 1025, and 1170 cm in the spectrum of sample... 

The primary goal in using perfusion based microfluidic cell culture chips is to achieve a high degree of control over the microenvironment that the cultured cells are exposed to, i.e. to create a microenvironment that resembles the one cells are exposed to in vivo. In order to illustrate the difference between traditional culture vessels and perfusion based microfluidic cell culture chips, an effective culture volume (ECV) has been proposed as a descriptive concept [4]. ECV is a combined function of the characteristic mode of mass transfer (convection or diffusion), the magnitude of the mass transfer in all directions (x, y, z) in space (Fig. 2) as well as the extent of protein adsorption to the surfaces in a system. In vivo systems, e.g. tissue as part of an organ, are characterized by a fluid volume that is comparable to the volume of the cells in the tissues as well as by diffusive mass transfer. Based on these features the ECV of in vivo systems is small. 

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