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Functional determinant

Fig. 6.2 Radial distribution function determined from a lOOps molecular dynamics simulation of liquid argon at a temperature of 100K and a density of 1.396gcm. ... Fig. 6.2 Radial distribution function determined from a lOOps molecular dynamics simulation of liquid argon at a temperature of 100K and a density of 1.396gcm. ...
Since the composition of the unknown appears in each of the correction factors, it is necessary to make an initial estimate of the composition (taken as the measured lvalue normalized by the sum of all lvalues), predict new lvalues from the composition and the ZAF correction factors, and iterate, testing the measured lvalues and the calculated lvalues for convergence. A closely related procedure to the ZAF method is the so-called ())(pz) method, which uses an analytic description of the X-ray depth distribution function determined from experimental measurements to provide a basis for calculating matrix correction factors. [Pg.185]

Mac Beath G, Schreiber SL (2000) Printing proteins as microarrays for high throughput function determination. Science 289 1760-1763... [Pg.769]

Fig. 10. Comparison of the measured refractive indices for PET film with values calculated from the orientation functions determined from n.m.r. assuming transversely isotropic structural units. I, Experimental points predicted values. Reproduced from Polymer by permission of the publishers, Butterworth Co (Publishers) Ltd. (C)... Fig. 10. Comparison of the measured refractive indices for PET film with values calculated from the orientation functions determined from n.m.r. assuming transversely isotropic structural units. I, Experimental points predicted values. Reproduced from Polymer by permission of the publishers, Butterworth Co (Publishers) Ltd. (C)...
N.D. Lang, and A.R. Williams, Theory of local-work-function determination by photoemission from rate-gas adsorbates, Physics Review B 25(4), 2940-2942 (1982). [Pg.85]

Kemmel V, Taleb O, Andriamampandry C, et al Gamma-hydroxybutyrate receptor function determined stimulation of rubidium and calcium movements from NCB-20 neurons. Neuroscience 116 1021—1031,2003... [Pg.263]

The mapping (7) introduces the unknown interface shape explicitly into the equation set and fixes the boundary shapes. The shape function h(x,t) is viewed as an auxiliary function determined by an added condition at the melt/crystal interface. The Gibbs-Thomson condition is distinguished as this condition. This approach is similar to methods used for liquid/fluid interface problems that include interfacial tension (30) and preserves the inherent accuracy of the finite element approximation to the field equation (27)... [Pg.308]

Figure 24. Shown is the derivative of the first-order spherical Bessel function determining the effective decrease in the elastic field gradient produced by a phonon of wavelength k (x = kR). Figure 24. Shown is the derivative of the first-order spherical Bessel function determining the effective decrease in the elastic field gradient produced by a phonon of wavelength k (x = kR).
Ifourth(fd, 2 Q) was multiplied with a window function and then converted to a frequency-domain spectrum via Fourier transformation. The window function determined the wavenumber resolution of the transformed spectrum. Figure 6.3c presents the spectrum transformed with a resolution of 6cm as the fwhm. Negative, symmetrically shaped bands are present at 534, 558, 594, 620, and 683 cm in the real part, together with dispersive shaped bands in the imaginary part at the corresponding wavenumbers. The band shapes indicate the phase of the fourth-order field c() to be n. Cosine-like coherence was generated in the five vibrational modes by an impulsive stimulated Raman transition resonant to an electronic excitation. [Pg.108]

PERIOD = 1 is the heating period using a steam mass flow rate of Fs. The mass balance on the steam jacket determines the steam density ps, which together with a steam table function determines the temperature of the jacket Tj. [Pg.309]

Conditional control using the control variables Z and X and the ISIM "COMP" comparater function determines the end of the free surface drying and the start of the diffusional drying. [Pg.638]

Ratio of polymeryl chains to total aluminum alkyl functionality determined by 2H NMR Determined using NMR gCopolymerizations with 40 g 1-hexene added... [Pg.87]

Another approach that provides a good desciption of the band structure of the host crystal is based on the Green s function determined for the perfect crystal. This function is then used to calculate changes induced by the presence of the defect (e.g., Rodriguez et al., 1979 Katayama-Yoshida and Shindo, 1983). The Green s function approach seems to be more cumbersome and less physically transparent that the supercell technique. [Pg.604]

Figure 4 Examples of classes of pharmaceutical compounds with amine functionality, determined by Ru(bpy)32+ ECL. Figure 4 Examples of classes of pharmaceutical compounds with amine functionality, determined by Ru(bpy)32+ ECL.
The relation between microbial diversity and soil functions is poorly understood because we cannot measure easily the microbial diversity, even if we can detect unculturable microorganisms by molecular techniques (Nannipieri et al. 2003). In addition, the present assays for measuring microbial functions determine the overall rate of entire metabolic processes, such as respiration, or specific enzyme activities, without identifying the active microbial species involved. The recent advances in RNA extraction from soil might permit us to determine active species in soil (Griffiths et al. 2000 Hurt et al. 2001). Further advances in understanding require us to determine the composition of microbial communities and microbial functions in microhabitats. [Pg.293]

The sign of the Gibbs function determines reaction spontaneity, so a reaction will occur if AG is negative and will not occur if AG is positive. When the reaction is poised at 7)cntlcai between spontaneity and non-spontaneity, the value of AG = 0. [Pg.167]

A short-term memory function determines how long a tabu restriction remains active. This can be expressed as the number of iterations a tabu condition is enforced once it is imposed. [Pg.395]


See other pages where Functional determinant is mentioned: [Pg.1852]    [Pg.478]    [Pg.403]    [Pg.737]    [Pg.13]    [Pg.160]    [Pg.582]    [Pg.248]    [Pg.110]    [Pg.184]    [Pg.21]    [Pg.74]    [Pg.176]    [Pg.88]    [Pg.172]    [Pg.1052]    [Pg.262]    [Pg.263]    [Pg.168]    [Pg.172]    [Pg.64]    [Pg.80]    [Pg.82]    [Pg.32]    [Pg.665]    [Pg.273]    [Pg.169]   
See also in sourсe #XX -- [ Pg.33 ]




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Antisymmetrized wave function Slater determinant

B3-LYP exchange-correlation functional in determination of vibrational spectra

Biotechnologies gene function determination

Carbon functions, determination

Complementarity determining regions function

Configurational density functions determination

Density Functional Theory configuration determination

Density functional theory basis Slater determinants

Density functional theory determination

Density functional theory methods determination

Density functions for 1-determinant wavefunctions

Determinant function

Determinant function

Determination of Functional Groups

Determination of Spectra from Viscoelastic Functions Using First-Order Approximations

Determination of the Most Probable Mechanism Function

Determination of thermodynamic functions for activation

Determining the functional unit

Electronic wave function determination

Excess functions graphical determination

Experimental Determination of Residence Time Functions

Frequency function, experimental determination

Functional group properties determined

Functional group, carbon determination

Functional group, quantitive determination using FTIR

Functional groups analytical determination

Functional groups binding free energy determination

Functional groups, determination

Functional groups, determination AAS, GFAAS and ICP analytical values

Functional groups, determination Subject

Functional groups, determination acrylic copolymers

Functional groups, determination applications

Functional groups, determination chromatography detection limits

Functional groups, determination esters

Functional groups, determination gas chromatography

Functional groups, determination halogenation methods

Functional groups, determination hydrogenation methods

Functional groups, determination infrared spectroscopy

Functional groups, determination kinetic method

Functional groups, determination nuclear magnetic resonance

Functional groups, determination silicon functions

Functional groups, determination spectrophotometric methods

Functional groups, determination spectrophotometry

Functional groups, determination styrene—methacrylate

Functional groups, determination titration method

Functional groups, determination unsaturation

Functionality determination

Functionality determination

Functionalization determination

Gene function determination

Gene function, determining

Hartree-Fock function closed shell single determinant

Hartree-Fock method single determinant wave function

Homology gene function determined

Importance of functional groups in determining drug actions and toxicity

Inverse problems breakage functions, determination

Keys to Success Substitution Versus Elimination— Structure Determines Function

Kinetic model function determination

Many-electron wave functions Slater determinants

Mental functions, determination

Multi-determinant wave functions

Multi-determinant wave functions electron correlation methods

Oscillation function temperature determination

Paired-Permanent Determinant (PPD) Function

Potential energy function determination

Potential energy function determination calculations

Potential energy function determination minimal expansion

Potential functions parameter determination

Protein functional properties, determination

Reactivity and Product Determination as a Function of Conformation

Relaxation and Retardation Spectra from Experimentally Determined Viscoelastic Functions

Relaxation function determination

Response function determining

Self-consistent field method Slater determinant orbital function

Single-determinant wave function

Slater determinant function optimization

Slater determinant wave function

Slater determinants density functional theory

Slater determinants wave function analysis

Spatial pair correlation function determination

Spin-coupled wave function determination

Spline function determination

Structural Determination as Function of Film Thickness

Structure determination function

Subject structurally determined function

The determination of thermodynamic functions

Vibrational wave function modes, determination

Wave function determination from electron density

Wave function, antisymmetric determinant form

Wave functions determination

Wave functions, approximate determinant-type

Work Function Experimental Determination

Work function determination

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