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Structural correlations

As could be expected, the density, lattice parameters, and bond strength of pSiC are in between those of silicon and diamond (the form of carbon) as shown in Table [Pg.127]

The phase diagram of carbon-silicon is shown in Fig. 7.6.0 10 1 This diagram does not attempt to distinguish between aSiC and pSiC. pSiC is thought to be more stable than aSiC at any temperature below a peritectic reaction temperature of 2545 40°C. [Pg.127]

Some studies have determined that a transformation of pSiC to aSiC apparently takes place above 2100°C but the reverse transformation is also possible in nitrogen and at high pressure (30-40 atm).0 ] The study of this transformation is still incomplete and-more investigation in this field is necessary. [Pg.127]


To make the correlation results applicable for the field development process it may be desirable to display the correlated units in their true structural position. For instance if water injection is planned for the field, water should enter the structure at or below the owe and move upwards. Hence the correlation panel should visually show the sand development in the same direction. For this, all markers on the panel are displayed and connected at their TVSS position (Fig. 5.43). This is called a structural correlation. [Pg.140]

Neither a trivial name nor the systematic nomenclature, which both represent the structure as an alphanumerical (text) string, is ideal for computer proccs.sing. The reason is that various valid compound names can describe one chemical structure (Figure 2-6). As a consequence, the name/structure correlation is unambiguous but not unique. Nowadays, programs can translate names to structures, and. structitrcs to names, to make published structures accessible in electronic journals (see also Chapter (I, Section 2 in the Handbook). [Pg.22]

Structured (correlation). If the coherently ordered surface areas (islands, domains) are smaller than the transfer width of the LEED system and at the same vertical height, the width of these areas. Aw, is directly related to the width of the LEED spots in fe-space, Afen ... [Pg.78]

Since we shall also be interested in analyzing the confined fluid s microscopic structure it is worthwhile to introduce some useful structural correlation functions at this point. The simplest of these is related to the instantaneous number density operator... [Pg.19]

Burton [92J published extensive NMR information forjluorinatedquaternary phosphanium salts that are used as Wittig reagents Clear data-structure correlations allow NMR mformauon on other compounds to be predicted The trifluo-romethyl analogue is a recent addition to this senes [93] The fluonne NMR of... [Pg.1051]

A. Haas, The General Course of Reactions and Structural Correlations in Sulfur-Nitr ogen Chemistry Discussed in Terms of Car bon and Sulfur(IV) Equivalence, J. Organomet. Chem., 623, 3 (2001). [Pg.12]

While significant amounts of experimental data are available on the side-chain tautomerism of the functionalized azoles, most are of qualitative character and not fully systematic. No accurate structural correlations which would allow rehable predictions of the energy preferences of a specific tautomer or the state of a tautomeric equilibrium at given conditions have been developed. Nevertheless, trends can be discerned, some of which have previously been formulated [76AHC(S1), pp. 386-391, 443-446]. More recent studies discussed in this section have confirmed the validity of the following ... [Pg.252]

Our treatment of polymers has thus far been dispersed over several chapters, but it s now time to take a more comprehensive view. In the present chapter, we ll look further at how polymers are made, and we ll see how polymer structure correlates with physical properties. No course in organic chemistry would be complete without a look at polymers. [Pg.1206]

The GC separations, derivatization procedures, mass spectral interpretation, structure correlations, and other information presented in this book were collected or experimentally produced over the length of a 30-year career (F.G.K.) in GC/MS. It has not been possible to reference all sources therefore, in the acknowledgments, we thank those persons whose work has significantly influenced this publication. [Pg.6]

A crystallographic scale of acidity has been developed. Measuring the mean C—H O distances in crystal structures correlated well with conventional P a(DMSO) values. An ab initio study was able to correlate ring strain in strained hydrocarbons with hydrogen-bond acidity. ... [Pg.328]

A simple example of how molecular electronic structure can influence condensed phase liquid crystalline properties exists for molecules containing strongly dipolar units. These tend to exhibit dipolar associations in condensed phases which influence many thermodynamic properties [29]. Local structural correlations are usually measured using the Kirkwood factor g defined as... [Pg.9]

Band L, Bencini A, Benelli C, Gatteschi D, Zanchini C (1982) Spectral-Structural Correlations in High-Spin Cobalt(II) Complexes. 52 37-86 Band L, Bertini I, Luchinat C (1990) The H NMR Parameters of Magnetically Coupled Dimers-The Fe2S2 Proteins as an Example. 72 113-136 Baran EJ, see MuUer A (1976) 26 81-139... [Pg.242]

Smectic phases are more highly ordered than nematic phases, and with an ordering of the molecules into layers. There are a number of different smectic phases which reflect differing degree of ordering. Crystal smectic phases are characterised by the appearance of inter-layer structural correlations and may in some cases be accompanied by a loss of molecular rotational freedom. [Pg.268]

Stevens, K. W. H. In Magneto-Structural Correlations in Exchange Coupled Systems Willett, R. D., Gatteschi, D. Kahn, O. Eds. Reidel, Dordrecht, 1985, 105. [Pg.279]

After the first report on the crystal structure correlation between 2,5-DSP and poly-2,5-DSP crystals, a different crystallographic result was reported on a poly-2,5-DSP crystal (Meyer et al., 1978). It was reconfirmed, however, that the first structural analysis was correct (Nakanishi et al., 1979a). 2,5-DSP, crystallized from benzene solution, is highly photoreactive (a-form), while the same compound, sublimed at a rather high temperature... [Pg.119]

Canonical structure correlations between the original variables (x, y) and their canonical variates (r, u). [Pg.322]

C.J.F. ter Braak, Interpreting canonical correlation analysis through biplots of structure correlations and weights. Psychometrika, 55 (1990) 519-531. [Pg.346]

Figure 57.15. The structural correlation between the trigonal Ni2Al3 (the thick outline) and the bcc structure of the disordered Ni-Al phase. The large circles are Ni, the medium ones are A1 and the small ones are voids (11). Figure 57.15. The structural correlation between the trigonal Ni2Al3 (the thick outline) and the bcc structure of the disordered Ni-Al phase. The large circles are Ni, the medium ones are A1 and the small ones are voids (11).
Band shape-based analyses similar to those used for ECD have also been applied to FTIR and Raman spectra with reasonable success (Williams and Dunker, 1981 Dousseau and Pezolet, 1990 Lee etal., 1990 Sarver and Kruger, 1991 Pribic etal., 1993 Baumruk etal., 1996). Clearly, spectra-structure correlations based only on folded proteins would lead... [Pg.137]

The role of an artificial neural network is to discover the relationships that link patterns of input data to associated output data. Suppose that a database contains information on the structure of many potential drug molecules (the input) and their effectiveness in treating some specific disease (the output). Since the clinical value of a drug must in some way be related to its molecular structure, correlations certainly exist between structure and effectiveness, but those relationships may be very subtle and deeply buried. [Pg.9]

J.M. Chalmers, Spectra-structure correlations Polymer spectra. In N.J. Everall, J.M. Chalmers and PR. Griffiths (Eds.), Vibrational Spectroscopy of Polymers Principles and Practice, Wiley, Chichester, 2007. [Pg.202]


See other pages where Structural correlations is mentioned: [Pg.2240]    [Pg.516]    [Pg.537]    [Pg.160]    [Pg.292]    [Pg.293]    [Pg.316]    [Pg.335]    [Pg.160]    [Pg.181]    [Pg.37]    [Pg.85]    [Pg.197]    [Pg.49]    [Pg.225]    [Pg.209]    [Pg.37]    [Pg.109]    [Pg.321]    [Pg.329]    [Pg.77]    [Pg.470]    [Pg.273]    [Pg.49]    [Pg.79]   
See also in sourсe #XX -- [ Pg.140 ]




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B3-LYP exchange-correlation functional calculating structural parameters

B97, exchange-correlation functionals calculating structural parameters

Biological Activity Correlation with Structure

Brisance, Correlation with Chemical Structure

Carbon monoxide surface structure correlations

Chemical shift correlations with molecular structure

Chemical structure infrared data correlations with

Circular structure correlation studies

Correlated electronic structure wavefunction

Correlated spectroscopy structure elucidation

Correlating 3D Structure to Human Intestinal Absorption

Correlating 3D Structure to Human Serum Albumin Binding

Correlation Function and Structure Factor

Correlation analysis structural effects

Correlation analysis structure

Correlation between fluorescence and structure

Correlation between structure and spectroscopy of copper proteins

Correlation data, structure effects

Correlation function of lamellar structure

Correlation functions dynamic structure factor

Correlation functions static structure factor

Correlation functions structural parameters from

Correlation of Structures

Correlation of mass spectra with molecular structure

Correlation structure-spectra

Correlation with internal structure

Correlation, effects structural isomer energies

Correlation, property with molecular structure

Correlation, structural parameters from

Correlation, structural parameters from measured scattering intensity

Correlations between structure and

Correlations between structure and dynamics

Correlations of Surfactant Structure and Detergency

Correlations with structures

Correlations, structure-frequency

Coupling constants structure correlation

Crystal structure correlations

Crystal structures structure-conductivity correlations

Cytochromes, structure-function correlations

Data Correlations with Chemical Structure

Defect structure correlation length

Dehydrogenases, structure-activity correlation

Dielectric constants correlation with molecular structure

Diffusion structure-property correlations

Direct Structure-Efficacy Correlation

Direct correlation between grain boundary structure and electric transport properties

Direct correlation functions, quantum fluid structure

Effects of Electron Correlations and Structure on Cluster Magnetism

Electron correlations, nonlinear organic structures

Electron counting structure correlations

Electronic structure electron correlation calculations

Electronic structure methods exchange-correlation functional

Electronic structure representation electron correlations

Energy Minima, Force Constants and Structure Correlation

Enzyme inhibitors, structure-function correlation

Enzyme structure-function correlation

Enzymes structure-reactivity correlations

Experimental Results for Polymer Chain Flexibility and Correlation with Structure

Hemes, structure-function correlation

Heparin correlation with structure

Hormones, structure-function correlation

Infrared spectroscopy structure correlation studies

Introduction to Structure-Property Correlations

Iron protein structure-function correlation

Kinases, structure-function correlations

Kinetics Quantitative Structure Reactivity Correlations

Lamellar structure correlation function

Linear correlations, structure effects

Mass spectra, correlation with molecular structure

Mass spectrometry correlation with molecular structure

Medicinal chemist structure function correlations

Metal surfaces, electronic structure correlation

Molecular modeling structural correlations

Nickel complexes structure correlation studies

Odor structure correlation

Oxidative activation catalyst structure-activity correlation

Pair correlation function liquid structure simulation

Pair correlation function structure factor

Pathway structural correlations

Principle of structure correlation

Processing/structure/properties performance correlations

Protease inhibitors, structure-function correlation

Proteases, structure-function correlation

Protein structural correlation

Quantitative Structure-Activity Correlations

Quantitative relationships between structure empirical correlations

Quantitative structure-activity correlation/relationship

Quantitative structure-activity relationships correlation weights

Reaction Profiles and Structure Correlation

Reactivity correlation with structure

Recurring Structures Devoid of Target Family Correlations

Ribonuclease structure-function correlation

Rules for Cluster Structure-Electron Counting Correlations

Scattering structural parameters from correlation

Secondary structure characteristics, correlation

Shift correlation experiment, heteronuclear chemical structure

Spectra Correlation with Structures

Spectra-structure correlations amino acids

Spectra-structure correlations for

Spectra-structure correlations for near infrared halogenated

Spectra-structure correlations for near-infrared

Spectra-structure correlations for near-infrared alcohols

Spectra-structure correlations near-infrared

Spectra-structure correlations steroids

Steps in the correlation of structure with biological action

Stochastic Structure-property correlations

Structural Correlations in Families of Homologous Proteins

Structural correlation analysis

Structural correlation principle

Structural effects, correlation

Structural properties correlation functions

Structural properties correlations

Structural properties direct correlation functions

Structural properties pair direct correlation function

Structural properties quantum triplet correlations

Structural relaxation time dispersion correlation with

Structure Correlation, the Chemical Point of View

Structure analysis methods molecular correlation time

Structure correlation

Structure correlation data

Structure correlation method

Structure correlation principle

Structure correlation theory

Structure correlation, chemical interpretation

Structure correlation, quantitative

Structure linear correlations

Structure, and reactivity correlations

Structure, correlation with source

Structure-AWPC Correlation

Structure-Function Correlations

Structure-Function Correlations Electron Transfer Chain

Structure-Function Correlations High Potential Iron Problems

Structure-Function Correlations in High

Structure-Function Correlations in High Potential Iron Problems

Structure-Function Correlations with the Nucleophile

Structure-Liquid Crystalline Property Correlations

Structure-activity correlations

Structure-activity correlations carcinogenesis

Structure-activity correlations mutagenesis

Structure-activity correlations toxicity

Structure-energy correlation

Structure-odour correlations

Structure-property correlation

Structure-property correlation maps

Structure-reactivity correlations

Structure-reactivity correlations, crystals

Structure—magneto correlation

Structure—property correlations copper oxides

Substrates, structure-reactivity correlations

Sulfonamides structure-activity correlation

Surface structure oxidized alloys, correlation

Symmetry Aspects of Structure Correlation

Synonymous and nonsynonymous substitution rates are correlated with protein structure

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