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Primitive

In this chapter we review elementary concepts that are used to describe Nature. [Pg.10]


During the inspection of an unknown object its surface is scanned by the probe and ultrasonic spectra are acquired for many discrete points. Disbond detection is performed by the operator looking at some simple features of the acquired spectra, such as center frequency and amplitude of the highest peak in a pre-selected frequency range. This means that the operator has to perform spectrum classification based on primitive features extracted by the instrument. [Pg.109]

Returning to multilayer adsorption, the potential model appears to be fundamentally correct. It accounts for the empirical fact that systems at the same value of / rin P/F ) are in essentially corresponding states, and that the multilayer approaches bulk liquid in properties as P approaches F. However, the specific treatments must be regarded as still somewhat primitive. The various proposed functions for U r) can only be rather approximate. Even the general-appearing Eq. XVn-79 cannot be correct, since it does not allow for structural perturbations that make the film different from bulk liquid. Such perturbations should in general be present and must be present in the case of liquids that do not spread on the adsorbent (Section X-7). The last term of Eq. XVII-80, while reasonable, represents at best a semiempirical attempt to take structural perturbation into account. [Pg.654]

The FCC structure is illustrated in figure Al.3.2. Metallic elements such as calcium, nickel, and copper fonu in the FCC structure, as well as some of the inert gases. The conventional unit cell of the FCC structure is cubic with the lengdi of the edge given by the lattice parameter, a. There are four atoms in the conventional cell. In the primitive unit cell, there is only one atom. This atom coincides with the lattice pomts. The lattice vectors for the primitive cell are given by... [Pg.98]

The rocksalt stmcture is illustrated in figure Al.3.5. This stmcture represents one of the simplest compound stmctures. Numerous ionic crystals fonn in the rocksalt stmcture, such as sodium chloride (NaCl). The conventional unit cell of the rocksalt stmcture is cubic. There are eight atoms in the conventional cell. For the primitive unit cell, the lattice vectors are the same as FCC. The basis consists of two atoms one at the origin and one displaced by one-half the body diagonal of the conventional cell. [Pg.99]

The empirical pseiidopotential method can be illustrated by considering a specific semiconductor such as silicon. The crystal structure of Si is diamond. The structure is shown in figure Al.3.4. The lattice vectors and basis for a primitive cell have been defined in the section on crystal structures (ATS.4.1). In Cartesian coordinates, one can write G for the diamond structure as... [Pg.110]

Copper has a FCC structure with one atom m the primitive unit cell. From simple orbital counting, one might... [Pg.129]

Kutzelnigg W 1992 Does the polarization approximation converge for large-rto a primitive or a symmetry-adapted wavefunction Chem. Phys. Lett. 195 77... [Pg.213]

Figure A2.3.16. Theoretical HNC osmotic coefTicients for a range of ion size parameters in the primitive model compared with experimental data for the osmotic coefficients of several 1-1 electrolytes at 25°C. The curves are labelled according to the assumed value of a+- = r+ + r-... Figure A2.3.16. Theoretical HNC osmotic coefTicients for a range of ion size parameters in the primitive model compared with experimental data for the osmotic coefficients of several 1-1 electrolytes at 25°C. The curves are labelled according to the assumed value of a+- = r+ + r-...
Blum L 1980 Primitive electrolytes in the mean spherical model Theoretical Chemistry Advances and Perspectives vol 5 (New York Academic)... [Pg.553]

Orkoulas G and Panagiotopoulos A Z 1999 Phase behavior of the restricted primitive model and square-well fluids from Monte Carlo simulations in the grand canonical ensemble J. Chem. Phys. 110 1581... [Pg.553]

Camp P J and Patey G N 1999 Ion association and condensation in primitive models of electrolytes J. Chem. Phys. [Pg.553]

Rasaiah J C, Card D N and Valleau J 1972 Calculations on the restricted primitive model for 1-1-electrolyte solutions J. Chem. Phys. 56 248... [Pg.554]

Rasaiah J C 1970 Equilibrium properties of ionic solutions the primitive model and its modification for aqueous solutions of the alkali halides at 25°C J. Chem. Phys. 52 704... [Pg.554]

Valleau J P and Cohen L K 1980 Primitive model electrolytes. I. Grand canonical Monte Carlo computations J. Chem. Phys. 72 5932... [Pg.554]

Gillan M 1980 Upper bound on the free energy of the restricted primitive model for ionic liquids Mol. Phys. 41 75... [Pg.555]

The simplest extension to the DH equation that does at least allow the qualitative trends at higher concentrations to be examined is to treat the excluded volume rationally. This model, in which the ion of charge z-Cq is given an ionic radius d- is temied the primitive model. If we assume an essentially spherical equation for the u. . [Pg.581]

Using the Omstein-Zemicke equation, numerical solutions for the restricted primitive model can be. [Pg.583]

In principle, simulation teclmiques can be used, and Monte Carlo simulations of the primitive model of electrolyte solutions have appeared since the 1960s. Results for the osmotic coefficients are given for comparison in table A2.4.4 together with results from the MSA, PY and HNC approaches. The primitive model is clearly deficient for values of r. close to the closest distance of approach of the ions. Many years ago, Gurney [H] noted that when two ions are close enough together for their solvation sheaths to overlap, some solvent molecules become freed from ionic attraction and are effectively returned to the bulk [12]. [Pg.583]

The first crystal structure to be detennined that had an adjustable position parameter was that of pyrite, FeS2 In this structure the iron atoms are at the comers and the face centres, but the sulphur atoms are further away than in zincblende along a different tln-eefold synnnetry axis for each of the four iron atoms, which makes the unit cell primitive. [Pg.1373]

The Wood notation ean be generalized somewhat fiirther, by adding either the prefix e for eentred, or the prefix p for primitive. For instanee, one may have a e (2 x 2) unit eell or a p(2 x 2) unit eell, the latter often abbreviated to (2 x 2) beeause it is identieal to it. In a eentred unit eell, the eentre of the eell is an exaet eopy of the eomers of the eell this makes the eell non-primitive, i.e. it is no longer the smallest eell that, when repeated periodieally aeross the surfaee, generates the entire surfaee stnieture. Nonetheless, the eentred notation is often used beeause it ean be quite eonvenient, as the next example will illustrate. [Pg.1763]

Schmidt M W and Ruedenberg K 1979 Effective convergence to compiete orbitai bases and to the atomic Hartree-Fock iimit through systematic sequences of Gaussian primitives J. Chem. Phys. 71 3951-62... [Pg.2195]

The redundant optimization scheme [53] can be applied to natural internal coordinates, which are sometimes redundant for polycyclic and cage compounds. It can also be applied directly to the underlying primitives. [Pg.2344]

Started with a Hessian diagonal in the space of primitive internals usmg the recipe of Schlegel [39]. [Pg.2345]

By combining the Lagrange multiplier method with the highly efficient delocalized internal coordinates, a very powerfiil algoritlun for constrained optimization has been developed [ ]. Given that delocalized internal coordinates are potentially linear combinations of all possible primitive stretches, bends and torsions in the system, cf Z-matrix coordinates which are individual primitives, it would seem very difficult to impose any constraints at all however, as... [Pg.2348]


See other pages where Primitive is mentioned: [Pg.327]    [Pg.496]    [Pg.65]    [Pg.98]    [Pg.99]    [Pg.285]    [Pg.439]    [Pg.440]    [Pg.498]    [Pg.1243]    [Pg.1371]    [Pg.1374]    [Pg.1767]    [Pg.2171]    [Pg.2171]    [Pg.2344]    [Pg.2344]    [Pg.2348]    [Pg.2349]    [Pg.2411]    [Pg.2529]    [Pg.2547]   
See also in sourсe #XX -- [ Pg.242 , Pg.310 ]

See also in sourсe #XX -- [ Pg.97 ]

See also in sourсe #XX -- [ Pg.348 ]




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5-type primitive Gaussian orbitals

A primitive model

A — Contour Length Fluctuations of the Primitive Chain

Achondrites primitive

Algorithm and Annulenoid Kekule Structures for Primitive Coronoids

Aluminum primitive mantle

And primitive

Assess Primitive Problem

Association with Primitive Organisms

Atmosphere primitive earth

Atmosphere primitive terrestrial

Atomic cell primitive basis orbital

Basis set primitive

Basis sets even-tempered, Gaussian primitive

Bile acids, primitive, mammals

Bravais primitive

Cell, unit primitive

Central nervous primitive neuroectodermal

Central nervous primitive neuroectodermal tumor

Certainty primitive

Classifier primitive

Coenzymes primitive 203

Cofactors primitive 203

Contour Length Fluctuations of the Primitive Chain

Contracted primitives

Contraction of primitives

Coulombic interaction restricted primitive model

Crystal lattice primitive translation vectors

Crystal primitive unit cell

Crystal structure primitive cell

Crystal structures primitive cubic

Crystals primitive lattice vectors

Crystals reciprocal primitive lattice vectors

Cubic-primitive lattice

Deep Primitive Path Fluctuations

Detection of Ewings Sarcoma and Primitive Neuroectodermal Tumor

Electrolyte solutions primitive model

Electrolytes primitive model

Elemental abundances primitive mantle

Embryo, mouse primitive endoderm

Environments for chemical evolution on the primitive Earth

Environments primitive Earth

Evolutionary primitive multicellular organisms

Ewing’s sarcoma/primitive neuroectodermal

Ewing’s sarcoma/primitive neuroectodermal tumor

GTO primitives

Gate level primitive

Gaussian basis sets primitive GTOs

Gaussian primitive functions, even-tempered

Gaussian primitive functions, even-tempered basis sets

Gaussian primitive functions, even-tempered systematic sequences

Gaussian primitives, linear combination

Gaussian, primitive

Gaussian-type orbitals primitive GTOs

Gaussian-type primitives

Hexagonal-primitive packing

Higher-order propagators primitive propagator

Homogeneous systems from interstellar space to planetary atmospheres and primitive soup models

Hydrogen primitive phase diagram

Hydrophobic effect primitive

Immune system primitive

Inextensible primitive chain

Integral primitive

Ionic fluid criticality restricted primitive model

Iron primitive mantle

Iron primitive mantle composition

Lattices primitive lattice cell

Lead primitive mantle composition

Lithophile elements primitive mantle

Matrix primitive

Melting primitive mantle

Messengers primitive 231

Milner Primitive path fluctuations

Molecular dynamics primitive relaxation

Molten salts primitive

Monte Carlo simulations restricted primitive models

Myxomycetes as primitive organisms

Neodymium primitive mantle composition

Non—primitive basic single coronoid

Normalized Primitive Gaussian Functions

Not primitive

Occurrence and structure of primitive bile acids in lower vertebrates

Occurrence and structure of primitive bile acids in mammals

Operation PRIMITIVE

Or primitive

Orbital primitive

Osmium primitive mantle composition

Pathways major primitive 201

Periodic orbit primitive

Peripheral primitive neuroectodermal

Peripheral primitive neuroectodermal tumor

Planetary differentiation primitive mantle composition

Polynomial primitive

Potential primitive model

Presolar grains in primitive Solar System materials

Primary atmosphere primitive

Primitive Analyses

Primitive Cartesian Gaussian basis functions

Primitive Chordates

Primitive Description

Primitive Fuzzy Concept

Primitive GTOs

Primitive Gaussian Type Orbital

Primitive Gaussian distributions

Primitive Gaussian functions

Primitive Gaussians

Primitive Modeling

Primitive Period Isometric Transformations

Primitive Period Isometric Transformations and the Longuet-Higgins Group

Primitive Quantities

Primitive Quasi-Chemical Approximation

Primitive Quasichemical Approximation

Primitive Things

Primitive World

Primitive achondrites ureilites

Primitive achondrites winonaites

Primitive and nonprimitive cells

Primitive angiosperm families

Primitive approximation

Primitive areas

Primitive atmosphere

Primitive atmosphere composition

Primitive atmosphere oxygen

Primitive atmospheres, synthesis

Primitive atmospheres, synthesis organic compounds

Primitive atmospheric conditions

Primitive basis function Gaussian

Primitive basis function matrix elements

Primitive basis functions

Primitive cell

Primitive cell, defined

Primitive chain

Primitive chain contour length

Primitive chain contour length fluctuation

Primitive chain diffusion constant

Primitive chain dynamics

Primitive chain entropy

Primitive chain length

Primitive chain relaxation time

Primitive chain reptational motion

Primitive chain segmental equilibrium time

Primitive chain segments

Primitive chain step length

Primitive chain with fluctuating contour

Primitive changes

Primitive cluster model

Primitive component

Primitive components in chondrites

Primitive crystal

Primitive crystal structure

Primitive cubic

Primitive cubic crystal

Primitive cubic structure

Primitive cubic unit cell

Primitive descriptors

Primitive earth

Primitive earth melting

Primitive earth temperature

Primitive element

Primitive equations

Primitive equations description

Primitive examples

Primitive function

Primitive function 374 Subject

Primitive hydrophilic phenomena ion hydration

Primitive lattice

Primitive lattice cell

Primitive lattice wave numbers

Primitive life forms

Primitive mantle

Primitive mantle chemical composition

Primitive mantle composition

Primitive mantle major element composition

Primitive mantle neodymium isotopes

Primitive mantle normalization

Primitive mantle ratios

Primitive mantle refractory elements

Primitive mantle rock types

Primitive mantle siderophile elements

Primitive mantle silicate Earth composition

Primitive marine plants

Primitive maxillary artery

Primitive membranes

Primitive metabolic pathways 201

Primitive metabolism

Primitive model

Primitive model for water

Primitive model of electrolytes

Primitive neuroectodermal tumor

Primitive organisms

Primitive path

Primitive path distance

Primitive path entanglement strand

Primitive path length

Primitive path model

Primitive path orientation

Primitive path, definition

Primitive relaxation function

Primitive restricted

Primitive root

Primitive set

Primitive single coronoid

Primitive soup

Primitive spatial product

Primitive steps, definition

Primitive streak

Primitive surface

Primitive translation vectors

Primitive translations

Primitive trigeminal artery

Primitive tube path

Primitive tubules

Primitive vectors

Primitive versus differentiated

Primitive volume

Primitive with constraint release

Primitive with reptation

Primitive-path fluctuations

Primitives, solid modeling

Reciprocal lattice primitive unit cell

Rectangular, primitive

Relaxation time primitive

Reptation Combined with Primitive Path Fluctuations

Reptation model primitive path

Restricted primitive model

Restrictive primitive model

Results for HR solute in dilute solutions of the primitive cluster model

Rhombic primitive lattice

Selected illustrative results for the primitive model

Selected results for the primitive cluster model

Siderophile elements primitive mantle composition

Solar nebula primitive

Solid primitives

Solvation of hard rods in the primitive model for water

Solvent primitive model

Space primitive

Strontium primitive mantle composition

The Dynamics of a Primitive Chain

The Primitive Atmosphere

The Primitive Chain

The Primitive Ligand Field Parameterization

The pre-biological primitive atmosphere

The primitive Earth

The primitive annihilation event

The primitive cluster model for water and its partition function

The primitive model and Debye-Hiickel (DH) theory

Thermodynamic excess properties of ionic solutions in the primitive MSA

Tube Primitive path fluctuations

Tube and Primitive Chain

Unit cell cubic, simple/primitive

Unrestricted primitive model

Volatile elements primitive mantle composition

Wigner-Seitz primitive cell

Zero-cycle primitive

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