Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Truncation

Sometimes it is not sufficient to look only for the given search term. All variations of the word have to be considered  [Pg.133]

In order to comprehend all variations, the word is truncated. The word truncation derives from the Latin word trunkus. [Pg.133]

Tuncation means to enter only that part of the word that remains unchanged during the search. The hosts use different truncation characters, e.g. ,, ,. The most important of STN are shown in the following samples. [Pg.133]

Other forms are middle-truncation for none or one character as well as left truncation. The latter is offered only by a few hosts, since it is a CPU-time-intensive process. In German, however, front or left truncation is undispensible due to their combined nouns. STN offers front truncation in some databases, as in the World Patents Index. [Pg.134]

Possible combinations of front- and end-truncation are available about the command [Pg.134]


At moderate densities. Equation (3-lOb) provides a very good approximation. This approximation should be used only for densities less than (about) one half the critical density. As a rough rule, the virial equation truncated after the second term is valid for the present range... [Pg.29]

A component in a vapor mixture exhibits nonideal behavior as a result of molecular interactions only when these interactions are very wea)c or very infrequent is ideal behavior approached. The fugacity coefficient (fi is a measure of nonideality and a departure of < ) from unity is a measure of the extent to which a molecule i interacts with its neighbors. The fugacity coefficient depends on pressure, temperature, and vapor composition this dependence, in the moderate pressure region covered by the truncated virial equation, is usually as follows ... [Pg.37]

This chapter uses an equation of state which is applicable only at low or moderate pressures. Serious error may result when the truncated virial equation is used at high pressures. [Pg.38]

VPLQFT is a computer program for correlating binary vapor-liquid equilibrium (VLE) data at low to moderate pressures. For such binary mixtures, the truncated virial equation of state is used to correct for vapor-phase nonidealities, except for mixtures containing organic acids where the "chemical" theory is used. The Hayden-0 Connell (1975) correlation gives either the second virial coefficients or the dimerization equilibrium constants, as required. [Pg.211]

It is useful to truncate the lines at the extreme values which are considered likely to occur, e.g. oil price may be considered to vary between -40% and +20% of the base case consumption. This presentation adds further value to the plot. [Pg.327]

STM and AFM profiles distort the shape of a particle because the side of the tip rides up on the particle. This effect can be corrected for. Consider, say, a spherical gold particle on a smooth surface. The sphere may be truncated, that is, the center may be a distance q above the surface, where q < r, the radius of the sphere. Assume the tip to be a cone of cone angle a. The observed profile in the vertical plane containing the center of the sphere will be a rounded hump of base width 2d and height h. Calculate q and r for the case where a - 32° and d and h are 275 nm and 300 nm, respectively. Note Chapter XVI, Ref. 133a. Can you show how to obtain the relevent equation ... [Pg.742]

This Legendre expansion converges rapidly only for weakly anisotropic potentials. Nonetheless, truncated expansions of this sort are used more often than justified because of their computational advantages. [Pg.208]

Its ratio to the first temi can be seen to be (5 J / 5 Ef) E HT. Since E is proportional to the number of particles in the system A and Ej, is proportional to the number of particles in the composite system N + N, the ratio of the second-order temi to tire first-order temi is proportional to N N + N. Since the reservoir is assumed to be much bigger than the system, (i.e. N) this ratio is negligible, and the truncation of the... [Pg.397]

The high-temperatiire expansion, truncated at first order, reduces to van der Waals equation, when the reference system is a fluid of hard spheres. [Pg.506]

Truncation at the first-order temi is justified when the higher-order tenns can be neglected. Wlien pe higher-order tenns small. One choice exploits the fact that a, which is the mean value of the perturbation over the reference system, provides a strict upper bound for the free energy. This is the basis of a variational approach [78, 79] in which the reference system is approximated as hard spheres, whose diameters are chosen to minimize the upper bound for the free energy. The diameter depends on the temperature as well as the density. The method was applied successfiilly to Lennard-Jones fluids, and a small correction for the softness of the repulsive part of the interaction, which differs from hard spheres, was added to improve the results. [Pg.508]

Flere, is the static polarizability, a is the change in polarizability as a fiinction of the vibrational coordinate, a" is the second derivative of the polarizability with respect to vibration and so on. As is usually the case, it is possible to truncate this series after the second tenn. As before, the electric field is = EQCOslnvQt, where Vq is the frequency of the light field. Thus we have... [Pg.1158]

A sine-shape has side lobes which impair the excitation of a distinct slice. Other pulse envelopes are therefore more commonly used. Ideally, one would like a rectangular excitation profile which results from a sine-shaped pulse with an infinite number of side lobes. In practice, a finite pulse duration is required and therefore the pulse has to be truncated, which causes oscillations in the excitation profile. Another frequently used pulse envelope is a Gaussian frmction ... [Pg.1523]

The atomic structure of a surface is usually not a simple tennination of the bulk structure. A classification exists based on the relation of surface to bulk stnicture. A bulk truncated surface has a structure identical to that of the bulk. A relaxed surface has the synnnetry of the bulk stnicture but different interatomic spacings. With respect to the first and second layers, lateral relaxation refers to shifts in layer registry and vertical relaxation refers to shifts in layer spacings. A reconstructed surface has a synnnetry different from that of the bulk synnnetry. The methods of stnictural analysis will be delineated below. [Pg.1813]

In order to understand the tendency to fomi a dipole layer at the surface, imagine a solid that has been cleaved to expose a surface. If the truncated electron distribution originally present within the sample does not relax, this produces a steplike change in the electron density at the newly created surface (figme B1.26.19(A)). [Pg.1889]

All static studies at pressures beyond 25 GPa are done with diamond-anvil cells conceived independently by Jamieson [32] and by Weir etal [33]. In these variants of Bridgman s design, the anvils are single-crystal gem-quality diamonds, the hardest known material, truncated with small flat faces (culets) usually less than 0.5 nun in diameter. Diamond anvils with 50 pm diameter or smaller culets can generate pressures to about 500 GPa, the highest static laboratory pressures equivalent to the pressure at the centre of the Earth. [Pg.1958]

It can be shown [ ] that the expansion of the exponential operators truncates exactly at the fourth power in T. As a result, the exact CC equations are quartic equations for the t y, etc amplitudes. The matrix elements... [Pg.2178]

State basis in the molecule consists of more than one component. This situation also characterizes the conical intersections between potential surfaces, as already mentioned. In Section V, we show how an important theorem, originally due to Baer [72], and subsequently used in several equivalent forms, gives some new insight to the nature and source of these YM fields in a molecular (and perhaps also in a particle field) context. What the above theorem shows is that it is the truncation of the BO set that leads to the YM fields, whereas for a complete BO set the field is inoperative for molecular vector potentials. [Pg.101]

Then, two things (that are actually interdependent) happen (1) The field intensity F = 0, (2) There exists a unique gauge g(R) and, since F = 0, any apparent field in the Hamiltonian can be transformed away by introducing a new gauge. If, however, condition (1) does not hold, that is, the electronic Hilbert space is truncated, then F is in general not zero within the tmncated set. In this event, the fields A and F cannot be nullified by a new gauge and the resulting YM field is true and irremovable. [Pg.149]

However, this procedure depends on the existence of the matrix G(R) (or of any pure gauge) that predicates the expansion in Eq. (90) for a full electronic set. Operationally, this means the preselection of a full electionic set in Eq. (129). When the preselection is only to a partial, truncated electronic set, then the relaxation to the truncated nuclear set in Eq. (128) will not be complete. Instead, the now tmncated set in Eq. (128) will be subject to a YM force F. It is not our concern to fully describe the dynamics of the truncated set under a YM field, except to say (as we have already done above) that it is the expression of the residual interaction of the electronic system on the nuclear motion. [Pg.157]

We further make the following tentative conjecture (probably valid only under restricted circumstances, e.g., minimal coupling between degrees of freedom) In quantum field theories, too, the YM residual fields, A and F, arise because the particle states are truncated (e.g., the proton-neutron multiplet is an isotopic doublet, without consideration of excited states). Then, it is within the truncated set that the residual fields reinstate the neglected part of the interaction. If all states were considered, then eigenstates of the form shown in Eq. (90) would be exact and there would be no need for the residual interaction negotiated by A and F. [Pg.158]

In this equation, the gradient term U(qx)Wtta (Rx)U(qx) Vr,z (Rx) = W > (R x) Vr x (Rx) still appears and, as mentioned before, introduces numerical inefficiencies in its solution. Even though a truncated Bom-Huang expansion was used to obtain Eq. (53), wJja (Rx), although no longer zero, has no poles at conical intersection geometries [as opposed to the full W (Rx) matrix]. [Pg.195]

In applying minimal END to processes such as these, one finds that different initial conditions lead to different product channels. In Figure 1, we show a somewhat truncated time lapse picture of a typical trajectory that leads to abstraction. In this rendering, one of the hydrogens of NHaD" " is hidden. As an example of properties whose evolution can be depicted we display interatomic distances and atomic electronic charges. Obviously, one can similarly study the time dependence of various other properties during the reactive encounter. [Pg.237]

Assuming that the diabatic space can be truncated to the same size as the adiabatic space, Eqs. (64) and (65) clearly define the relationship between the two representations, and methods have been developed to obtain the tians-formation matrices directly. These include the line integral method of Baer [53,54] and the block diagonalization method of Pacher et al. [179]. Failure of the truncation assumption, however, leads to possibly important nonremovable derivative couplings remaining in the diabatic basis [55,182]. [Pg.280]


See other pages where Truncation is mentioned: [Pg.15]    [Pg.84]    [Pg.748]    [Pg.261]    [Pg.521]    [Pg.657]    [Pg.51]    [Pg.187]    [Pg.201]    [Pg.285]    [Pg.316]    [Pg.756]    [Pg.1157]    [Pg.1703]    [Pg.1871]    [Pg.1958]    [Pg.2338]    [Pg.2366]    [Pg.2588]    [Pg.2588]    [Pg.2588]    [Pg.104]    [Pg.146]    [Pg.152]    [Pg.152]    [Pg.157]    [Pg.189]    [Pg.192]   
See also in sourсe #XX -- [ Pg.231 ]

See also in sourсe #XX -- [ Pg.170 , Pg.288 ]

See also in sourсe #XX -- [ Pg.40 ]

See also in sourсe #XX -- [ Pg.411 , Pg.413 , Pg.418 ]

See also in sourсe #XX -- [ Pg.181 , Pg.186 ]

See also in sourсe #XX -- [ Pg.50 ]

See also in sourсe #XX -- [ Pg.56 ]

See also in sourсe #XX -- [ Pg.64 ]

See also in sourсe #XX -- [ Pg.291 ]

See also in sourсe #XX -- [ Pg.175 ]

See also in sourсe #XX -- [ Pg.287 , Pg.317 ]

See also in sourсe #XX -- [ Pg.302 ]

See also in sourсe #XX -- [ Pg.9 , Pg.18 , Pg.21 ]

See also in sourсe #XX -- [ Pg.157 ]

See also in sourсe #XX -- [ Pg.208 , Pg.333 , Pg.336 , Pg.338 ]

See also in sourсe #XX -- [ Pg.133 , Pg.203 ]

See also in sourсe #XX -- [ Pg.129 , Pg.131 ]




SEARCH



A Truncated Octahedron

Abnormal protein truncation

Apodization truncation error

Approximate Unitary and Truncated Optimum Transformations

Aptamers truncation

Archimedean solids truncated octahedron

Archimedean solids truncated tetrahedron

Atom truncation

Balanced truncation

Basis set truncation

Basis sets truncation errors

Boxcar truncation

Boxcar truncation function

Cell index truncation

Ciystal truncation rods

Configuration interaction excitation level truncation

Configuration interaction truncated

Configuration truncation procedure

Configuration-interaction theory truncated expansions

Crystal truncation effects

Crystal truncation rod diffraction

Crystal truncation rods

Cube, snub truncated

Digits, rounded truncated

Dipolar truncation

Dispersion truncated cone

Distribution truncated

Distribution truncated probability

End truncation

Excitation Schemes and Open-End Truncation

Exponential truncated

Extrusion truncated right cone

FID Truncation and Spectral Artifacts

Failure sequences/truncated peptides

Fock expansion truncated states

Force-shifted truncation

Fourier termination/truncation

Fourier truncation errors

Front truncation

Gene truncation

Harmonic potential, truncated, matrix

Hiickel theory truncated

Hilbert space truncated states

Hormone independent gene activation by truncated receptors

ITCHY (incremental truncation for the

Icosahedral structures, truncated

Incremental truncation

Interaction potential truncation

Ladder sequencing truncated peptides

Leaf truncate

Length truncation

Lennard-Jones potential truncated

Library truncation

Local truncation error

Lozenge, truncated

Markovian truncation

Middle truncation

Minimal truncated octahedron

Mode-truncation

Model reduction state truncation

Model truncation error

Multipole expansion truncation errors

Numerical Issues truncation error

Octahedron structure, truncated

Octahedron, truncated

Octahedron, truncated views

Operator manifolds truncation

Particles truncated tetrahedron

Potential energy spherical truncation

Potential energy truncation methods

Potential truncation

Protein Truncated viral proteins

Protein truncated

Protein truncation test

Quadratic truncation

Quantum optics truncated states

Random protein truncation

Rigid truncated cone structure

Selection truncation

Series truncating

Shifted potential, truncation method

Simulations long-range truncation

Single-axis arm designed with in the SPIF of truncated

Smooth truncation

Sodalite truncated octahedron unit

Space excitation level truncation

Spherical truncation

SslA truncation derivatives

SslA truncation derivatives self-assembly

Structure truncated triangular

Substrate truncation

Surface crystal truncation rods

Systematic truncation

TRUNCATED CONE

TRUNCATED-PYRAMID

Text field truncation

The Truncation Procedure

Truncatable systems, moment free energy

Truncated

Truncated BID

Truncated CI methods

Truncated Cone-Shaped Charge

Truncated Fourier domain signal

Truncated Gaussian distribution

Truncated Guggenheim equation

Truncated Hamiltonians

Truncated Hausdorff expansion

Truncated NOE

Truncated Newton

Truncated Newton method

Truncated Newton-Raphson optimization

Truncated Newton-Raphson optimization method

Truncated Quadratic Configuration Interaction Methods

Truncated anharmonic oscillator

Truncated basis sets

Truncated chains

Truncated cone and plate

Truncated configuration interaction methods

Truncated correction factor

Truncated coupled cluster methods

Truncated crystal

Truncated cube

Truncated cuboctahedron

Truncated cumulant expansion method

Truncated decahedron

Truncated diagram

Truncated dodecahedron

Truncated driven NOE

Truncated expansions

Truncated forms

Truncated genes

Truncated harmonic oscillator potential

Truncated icosahedral carbon cluster

Truncated icosahedral geometry

Truncated icosahedron

Truncated icosidodecahedron

Truncated moment expansion, electrical

Truncated normal form

Truncated octahedral particles

Truncated oxPC

Truncated parabola

Truncated phospholipids

Truncated potentials

Truncated power law model

Truncated power series

Truncated program lines

Truncated pyramidal structures

Truncated rate constant

Truncated relaxation effects, correction

Truncated sequences

Truncated series

Truncated sine wave

Truncated sphere

Truncated surface

Truncated tetrahedron

Truncated wash procedure

Truncating

Truncating

Truncating potential

Truncating remainders

Truncation Coulomb integrals

Truncation Error and Apodization

Truncation Error of Explicit Scheme

Truncation Functors

Truncation artefacts

Truncation artifacts

Truncation decimal number)

Truncation effects

Truncation error

Truncation error, finite difference approximation

Truncation exchange integrals

Truncation function

Truncation level

Truncation method

Truncation model

Truncation of infinite lattice sums

Truncation of the Exponential Ansatz

Truncation of the QM Region

Truncation operation

Truncation overlap integrals

Truncation radius

Truncation studies

Truncation suppression

Truncation surface

Truncation-diagonalization analysis

Virial equation of state truncated

Wideband uniform rate and smooth truncation

Wideband uniform-rate smooth truncation

Wideband uniform-rate smooth truncation WURST)

Wideband uniform-rate smooth truncation WURST) pulses

Wigner function truncated states

© 2024 chempedia.info