Big Chemical Encyclopedia

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

Articles Figures Tables About

Properties state

In DFT, the electronic density rather than the wavefiinction is tire basic variable. Flohenberg and Kohn showed [24] that all the observable ground-state properties of a system of interacting electrons moving in an external potential are uniquely dependent on the charge density p(r) that minimizes the system s total... [Pg.2207]

Singh D 1991 Ground-state properties of ianthanum treatment of extended-oore states Phys. Rev. B 43 6388... [Pg.2231]

Similar to the fullerene ground state the singlet and triplet excited state properties of the carbon network are best discussed with respect to the tliree-dimensional symmetry. SurjDrisingly, the singlet excited state gives rise to a low emission fluorescence quantum yield of 1.0 x 10 [143]. Despite the highly constrained carbon network,... [Pg.2419]

Ebbesen T W, Tanigaki K and Kuroshima S 1991 Excited-state properties of Cgg Chem. Phys. Lett. 181 501-4... [Pg.2433]

Tanigaki K, Ebbesen T W and Kuroshima S 1991 Picosecond and nanosecond studies of the excited state properties of C g Chem. Phys. Lett. 185 189-92... [Pg.2433]

As has been shown previously [243], both sets can be described by eigenvalue equations, but for the set 2 it is more direct to work with projectors Pr taking the values 1 or 0. Let us consider a class of functions/(x), describing the state of the system or a process, such that (for reasons rooted in physics)/(x) should vanish for X D (i.e., for supp/(x) = D, where D can be an arbifiary domain and x represents a set of variables). If Pro(x) is the projector onto the domain D, which equals 1 for x G D and 0 for x D, then all functions having this state property obey an equation of restriction [244] ... [Pg.111]

Both antimony tribromide and antimony ttiiodide are prepared by reaction of the elements. Their chemistry is similar to that of SbCl in that they readily hydroly2e, form complex haUde ions, and form a wide variety of adducts with ethers, aldehydes, mercaptans, etc. They are soluble in carbon disulfide, acetone, and chloroform. There has been considerable interest in the compounds antimony bromide sulfide [14794-85-5] antimony iodide sulfide [13868-38-1] ISSb, and antimony iodide selenide [15513-79-8] with respect to their soHd-state properties, ferroelectricity, pyroelectricity, photoconduction, and dielectric polarization. [Pg.204]

Cerium metal has unique soHd-state properties and is the only material known to have a soHd—soHd critical point. Three aHotropes, a, P, y, are stable at or close to ambient conditions and have complex stmctural interrelationships. [Pg.368]

Excited-state properties of the cyanine and related dyes are complex. Most cyanine dyes exhibit small Stokes shifts for duorescence maxima. Typical carbocyanines (1) with n = 1 show 14- to 16-nm shifts in methanol solution with low quantum efficiencies for duorescence (Op ) of less than 0.05. The diearbocyanine analogues also show small Stokes shifts but higher quantum yields (Lpj = 0.3-0.5). [Pg.398]

The chapter on equation-of-state properties provides the basic approaches used for describing the high-pressure shock-compression response of materials. These theories provide the basis for separating the elastic compression components from the thermal contributions in shock compression, which is necessary for comparing shock-compression results with those obtained from other techniques such as isothermal compression. A basic understanding of the simple theories of shock compression, such as the Mie-Gruneisen equation of state, are prerequisite to understanding more advanced theories that will be discussed in subsequent volumes. [Pg.356]

The molecular and liquid properties of water have been subjects of intensive research in the field of molecular science. Most theoretical approaches, including molecular simulation and integral equation methods, have relied on the effective potential, which was determined empirically or semiempirically with the aid of ab initio MO calculations for isolated molecules. The potential parameters so determined from the ab initio MO in vacuum should have been readjusted so as to reproduce experimental observables in solutions. An obvious problem in such a way of determining molecular parameters is that it requires the reevaluation of the parameters whenever the thermodynamic conditions such as temperature and pressure are changed, because the effective potentials are state properties. [Pg.422]

Although it is required to refine the above condition I in actuality, this rather simple but impressive prediction seems to have much stimulated the experiments on the electrical-conductivity measurement and the related solid-state properties in spite of technological difficulties in purification of the CNT sample and in direct measurement of its electrical conductivity (see Chap. 10). For instance, for MWCNT, a direct conductivity measurement has proved the existence of metallic sample [7]. The electron spin resonance (ESR) (see Chap. 8) [8] and the C nuclear magnetic resonance (NMR) [9] measurements have also proved that MWCNT can show metallic property based on the Pauli susceptibility and Korringa-like relation, respectively. On the other hand, existence of semiconductive MWCNT sample has also been shown by the ESR measurement [ 10], For SWCNT, a combination of direct electrical conductivity and the ESR measurements has confirmed the metallic property of the sample employed therein [11]. More recently, bandgap values of several SWCNT... [Pg.42]

A. Ciach, J. S. Hoye, G. Stell. Microscopic model for microemulsion. I. Ground state properties. J Chem Phys 90 1214-1221, 1989. [Pg.740]

The use of Cl methods has been declining in recent years, to the profit of MP and especially CC methods. It is now recognized that size extensivity is important for obtaining accurate results. Excited states, however, are somewhat difficult to treat by perturbation or coupled cluster methods, and Cl or MCSCF based methods have been the prefen ed methods here. More recently propagator or equation of motion (Section 10.9) methods have been developed for coupled cluster wave functions, which allows calculation of exited state properties. [Pg.146]

V. EFFECT OF CHAIN BRANCHING ON SOLID STATE PROPERTIES... [Pg.284]

The effect of MW and MWD on the solid state properties have been extensively studied [11,12,82]. These studies have been made both on fractionated and whole polymer samples. Attempts have also been made to correlate the solution viscosity, melt viscosity, MFI and other related parameters, which represent the MW and MWD of the polymers, with the solid state properties. Table 6 summarizes the results of various studies on effect of MW and MWD on the properties of PEs. [Pg.288]

Block copolymers have become increasingly important in recent decades. This importance is due to the fact that their special chemical structure yields unusual physical properties, especially as far as solid-state properties are concerned. Block copolymers are applied in various fields, they are used as surfactants, adhesives, fibres, thermoplastics, and thermoplastic elastomers. [Pg.735]

Ground State Properties of Titanium Dioxide Polymorphs... [Pg.20]

We have investigated ground state properties on a first principles basis. Total energy as well as magnetic moment (for FeaNi) were determined with the FLAPW method and the GGA introduced by Perdew and Wang in 1992 by employing the WIEN95 code developed by Blaha et al. [Pg.214]


See other pages where Properties state is mentioned: [Pg.125]    [Pg.879]    [Pg.2179]    [Pg.2428]    [Pg.387]    [Pg.499]    [Pg.54]    [Pg.221]    [Pg.1021]    [Pg.407]    [Pg.409]    [Pg.443]    [Pg.445]    [Pg.499]    [Pg.520]    [Pg.431]    [Pg.222]    [Pg.133]    [Pg.51]    [Pg.144]    [Pg.199]    [Pg.857]    [Pg.53]    [Pg.1164]    [Pg.152]    [Pg.147]    [Pg.278]    [Pg.284]    [Pg.289]    [Pg.20]    [Pg.61]    [Pg.215]   
See also in sourсe #XX -- [ Pg.349 ]

See also in sourсe #XX -- [ Pg.326 ]

See also in sourсe #XX -- [ Pg.113 ]

See also in sourсe #XX -- [ Pg.247 ]




SEARCH



Acidic Properties in the Solid State

Actinides oxidation states, 442 --- atomic properties

Active pharmaceutical ingredients solid-state properties

Aggregates solid state properties

Amorphous state thermal properties

Aryl compounds, excited state properties

Boundary of the Red Onion State prison property

Calculation of Rare-Earth Excited-State Absorption Properties

Catalytic properties substrate active states

Coherent state properties

Coherent states general properties

Compound Solid-state Properties

Conducting polymers neutral state properties

Conjugated solid state properties

Corresponding states, physical properties

Crystal morphology solid-state properties

Crystalline state, determine product properties

Density functional theory excited state properties

Density functional theory ground state properties

Domalski-Hearing Group Contribution Values for Standard State Thermal Properties

Dry-state properties

Effects on Solid-State Properties

Electric properties states

Electronic solid state properties

Electronic state properties, vibrationally

Electronic state properties, vibrationally averaged

Electronic structure ground state properties

Electronically excited states of organic molecules, acid-base properties

Engineering Elastic Properties in Glassy State

Enthalpy standard state thermal properties

Entropy as a state property

Excited state acid-base properties

Excited state dynamic properties

Excited state properties

Excited state redox properties

Excited state static properties

Excited state, properties reactions

Filled rubbers, mechanical properties state

Final state properties

First excited singlet state photophysical properties

Fundamental Definitions System, Property, Macroscopic, State

Green state, mechanical properties

Ground State Properties of Transition Metal Oxides

Ground state propertie

Ground state properties, peroxynitrous acid

Ground state properties, stilbenes

Ground state properties, transition metal

Ground states magnetic properties

Ground-state molecular properties

Ground-state properties

High normal-state properties

Hopping solid state properties

Hydrates solid-state properties

Hydrates, salt solid-state properties

Impact of Solid-State Form on API and Product Properties

Influence of Interfacial Area State on Mechanical Properties

Initial state properties

Ligand properties oxidation states

Liquid crystalline state properties

Liquid-state properties

Magnetic properties states

Mathematical Properties of State Functions

Mechanical properties in green state

Mechanical properties interfacial area state

Metallic properties state

Mixture Properties from Helmholtz Energy Equations of State

Molecular orientational states and optical properties

Negative-energy states properties

Neutral state properties

Nonlinear optical properties, solid state

Nonlinear optical properties, solid state molecular crystals

Nonlinear optical properties, solid state molecules

Nonlinear optical properties, solid state polymers

Normal-state transport properties

Oligothiophenes solid state properties

On the Extremum Properties of Thermodynamic Steady State in Non-Linear Systems

Optical Properties of the Activated State

Optical Properties of the Unactivated State

Optical properties solid-state lasers

Oxidation states comparison of properties

PHYSICAL, OPTICAL, AND SOLID-STATE CHEMICAL PROPERTIES

Peng-Robinson Equation of State for Thermodynamic Properties

Pharmaceutical salts solid state properties

Physical Properties of Excited States

Physical Properties of Excited States Jablonski Diagram

Physical States and Properties of Water

Physical properties, concrete states

Polyaniline solid state properties

Polymer States and Properties

Polymorphism salt solid-state properties

Polypyrrole neutral state properties

Properties - Steady State Oscillation Testing

Properties and the state of a system

Properties cationic oxidation states

Properties from equations of state

Properties in the Glassy State

Properties in the Rubbery State

Properties of Molecules in Excited States

Properties of block copolymers phase separation in solution and at solid state

Properties of plastics in a liquid state

Properties of the Excited State

Properties of the Liquid State

Properties of the Steady-State RGA

Properties of the potential energy surface relevant to transition state theory

Properties of the stationary resonance state

Properties solid-state rheological

Property and Physical State Notations

Protein , conformational states dynamic properties

Reactive scattering state-selected and cumulative properties

Redox Properties of the Excited States

Redox properties excited electronic states

Reduced Equations of State Critical Property Isotope Effects

Reference state properties

Relationship between Partial Molar Property and State Variable (Euler Theorem)

Residual Properties by Equations of State

Resonance state properties

Resting-state properties

Rheological properties steady state rheology

Salts solid-state properties

Screening solid-state properties

Singlet states, acid-base properties

Solid State Properties Thermal Transitions

Solid State Properties of Polymers

Solid state nuclear magnetic resonance thermal properties

Solid state properties higher transitions

Solid state, physical properties

Solid-State Lasers Radiative Properties of Ruby Crystals

Solid-state compounds metal properties

Solid-state properties

Solid-state properties amorphous forms

Solid-state properties hygroscopicity

Solid-state properties polymorphism

Solid-state properties profound effect

Solid-state properties solubility

Solid-state properties solvates

Solid-state properties study methods

Solid-state properties, conjugated polymer

Solvent properties, solution-state nuclear

Spectroscopic Properties of Excited States

Spin states magnetic properties

Spin states structural properties

State Mechanical Properties

State Properties from Statistical Thermodynamics

State Properties of Explosives

State and Thermodynamic Properties

State extensive properties

State function A property that is independent of the pathway

State intensive properties

State property definition

State property energy

State property enthalpy

State property entropy

State property statistical definition

State-and property-specific approach

States and Properties of Matter

States and State Properties

Static properties of excited states

Stationary resonance state properties

Steady-state optical properties

Structure and properties of polymers in the pure amorphous liquid state

Summation over states properties

Symmetry properties of tunneling states in JT systems

The Electronic Properties and Density of States

The Solid State Main Distinctive Properties

The Solid State Structure, Properties, and Bonding

The equation of state Extensive and intensive properties

Thermodynamic Properties from Helmholtz Energy Equations of State

Thermodynamic properties standard state values

Thermodynamic property, standard states

Thermodynamic state, properties

Thickness-dependent ground-state properties

Transition excited-state properties

Transition metal oxides ground state properties

Transition state properties

Transition states, reacting molecules properties

Triplet State Properties of Free-Base Porphin

Triplet excited states photophysical properties

Triplet state properties

Triplet states, acid-base properties

Useful Property Data for Corresponding States Estimates

Vibrational states electrical properties

Vulcanized state, mechanical properties

Wavelength properties excited-state intramolecular

© 2024 chempedia.info