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Molecular phase

A situation that arises from the intramolecular dynamics of A and completely distinct from apparent non-RRKM behaviour is intrinsic non-RRKM behaviour [9], By this, it is meant that A has a non-random P(t) even if the internal vibrational states of A are prepared randomly. This situation arises when transitions between individual molecular vibrational/rotational states are slower than transitions leading to products. As a result, the vibrational states do not have equal dissociation probabilities. In tenns of classical phase space dynamics, slow transitions between the states occur when the reactant phase space is metrically decomposable [13,14] on the timescale of the imimolecular reaction and there is at least one bottleneck [9] in the molecular phase space other than the one defining the transition state. An intrinsic non-RRKM molecule decays non-exponentially with a time-dependent unimolecular rate constant or exponentially with a rate constant different from that of RRKM theory. [Pg.1011]

The molecular phase effects are especially important when the system has some type of synnnetry. Nevertheless, the typical treatment of non-adiabatic effects ignores the adiabatic phase, although, as cautioned, this is a problematic step. [Pg.2318]

Raman spectroscopy is a very convenient technique for the identification of crystalline or molecular phases, for obtaining structural information on noncrystalline solids, for identifying molecular species in aqueous solutions, and for characterizing solid—liquid interfaces. Backscattering geometries, especially with microfocus instruments, allow films, coatings, and surfaces to be easily measured. Ambient atmospheres can be used and no special sample preparation is needed. [Pg.440]

Robert Q. Topper, Visualizing Molecular Phase Space Nonstatistical Effects in Reaction Dynamics. [Pg.444]

Rosbash Is this molecular phase, or behavioural phase ... [Pg.180]

R. Q. Topper, Visualizing Molecular Phase Space Nonstatistical Effects in Reaction Dynamics, Rev. Comput. Chem. 1997, 10, 101. [Pg.957]

Takagi, S., Tsumoto, K. and Yoshikawa, K. (2001) Intra-molecular phase segregation in a single polyelectrolyte chain. J. Chem. Phys., 114, 6942-6949. [Pg.146]

The quantitative nature of the observed control depends upon the values of and the molecular phase, aq. In particular, the value of aq — a, dictates the shift) between the peaks in Pq E) and Pq (E). For example, a molecular case where ... [Pg.56]

In several other simpler cases, discussed below, the molecular phase vanishes. W note in passing that, in accord with Eq. (3.53), the vanishing of the molecular pbpf does not imply that control is lost. However, a significant phase lag, from the vie -. point of control, is advantageous.. ... [Pg.134]

To see the origin of the molecular phase lag in the one- vs. three-photon control scenario, we reconsider the formalism discussed in Section 3.3.2. However, for notational simplicity, we denote the set of scattering eigenstates of the full Hamiltonian at energy E and fragment quantum numbers n in channel q as E, n ), that is, we subsume the q within the labels n. [Pg.135]

To understand how resonances affects the molecular phase, we briefly outline the basics of the theory of scattering resonances. We consider bound states <))s) interacting with a set of continuum states denoted E, n 1), where, as for the full scattering states , n-) [see Eq. (2.66)], the states E, n 1) approach the fine asymptotic solutions at infinite time ... [Pg.135]

Pn iE) is seen to be real since both molecular phase, that is, the phase of this term, is zero. [Pg.141]

Inhere r E, n 1) is a real function and <5 is a phase that is independent of r. Under fese circumstances the phase of the T(i E, n) exactly cancels the phase of d(E, n f) S d the phase of the T(i E, n)d( , n i) products vanishes. As a result, the molecular llfiase is zero. If, on the other hand, the scattering involves coupling between many pfwtanels, then E, n 1) is a solution of a multichannel problem, the factorization in -(6.61) no longer holds, and the molecular phase is both nonzero and a fimction... [Pg.141]

Here no factorization of the V(,y is, n) terms out of the sum is possible, the molecular phase an(i ) is now a function of n. Note that the energy dependence of Eq. (6.62) is distinctly different than that in Eq. (6.60) providing insight into the nature of the continuum. [Pg.142]

Once again, the molecular phase ccn(E) is nonzero and is a function of n. Thus, we see, in accord with extensive work by Gordon and Seideman, that presence of a nonzero molecular phase provides insight into features of the co nuum [221]. Further, the detailed nature of the energy dependence of the molecr phase assists in distinguishing between the various cases discussed above. [Pg.142]


See other pages where Molecular phase is mentioned: [Pg.2317]    [Pg.366]    [Pg.367]    [Pg.367]    [Pg.376]    [Pg.74]    [Pg.75]    [Pg.167]    [Pg.172]    [Pg.172]    [Pg.179]    [Pg.184]    [Pg.109]    [Pg.5]    [Pg.128]    [Pg.420]    [Pg.16]    [Pg.115]    [Pg.48]    [Pg.119]    [Pg.125]    [Pg.133]    [Pg.133]    [Pg.133]    [Pg.133]    [Pg.134]    [Pg.135]    [Pg.137]    [Pg.139]    [Pg.141]    [Pg.143]   
See also in sourсe #XX -- [ Pg.13 , Pg.56 , Pg.119 , Pg.125 , Pg.133 , Pg.134 , Pg.135 , Pg.136 , Pg.137 , Pg.138 , Pg.139 , Pg.140 , Pg.141 , Pg.142 ]




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Ab Initio Molecular-Dynamics Simulations of Doped Phase-Change Materials

Aspects of Molecular Symmetry for Chiral Nematic Phases

Assemblies in the Molecular Phase Space

Chevrel phases heterogeneous HDS catalysts containing molecular clusters

Condensed-phase optimized molecular

Condensed-phase optimized molecular potentials for atomistic simulation

Condensed-phase optimized molecular studies

Dirac theory, molecular systems, modulus-phase

Dirac theory, molecular systems, modulus-phase formalism

Epitaxial growth molecular phase epitaxy

Gas phase molecular beam epitaxy

Gas phase molecular complexes

Gas-phase Molecular Structures Determined by Electron Diffraction

Gas-phase electrophoretic mobility molecular

Gas-phase electrophoretic mobility molecular analyzer

Geometric phase effect , molecular systems

Geometric phase effect total molecular wave function

Greens functions of molecular subsystems in the condensed phase

Heat Involved in Phase Changes A Kinetic-Molecular Approach

Hybrid-phase catalysts molecular

Induced Molecular Reorientations in the Isotropic Phase

Kinetic-molecular theory phase changes

Large molecular complexes, phase extension

Liquid crystal phase common molecular features

Liquid crystal phase molecular structure effects

Liquid molecular comparison with other phases

Liquid phase molecular systems

Liquid phase molecular systems Monte Carlo simulation

Liquid-Phase Oxidations with Hydrogen Peroxide and Molecular Oxygen Catalyzed by Polyoxometalate-Based Compounds

Modulus-phase formalism, molecular systems

Molecular Gas Phase Documentation

Molecular Interactions Determining the Partitioning of Organic Compounds Between Different Phases

Molecular Models for Simple Smectic Phases

Molecular Phase Space Nonstatistical Effects in Reaction Dynamics

Molecular Phase in Presence of Resonances

Molecular Recognition-Directed Assembly of Organized Phases

Molecular Statistic Approach to Phase Transitions

Molecular Structure on Isotropic Phase Reorientational Nonlinearities

Molecular Theories of Uniaxial Phases

Molecular Theory of the Nematic Phase

Molecular crystal substrates crystalline phases

Molecular cubic phases

Molecular disorder ordering phase diagram

Molecular dynamics , phase

Molecular dynamics , phase transformations

Molecular dynamics bulk phase

Molecular dynamics condensed phases

Molecular dynamics geometric phase theory, single-surface

Molecular dynamics isotropic-nematic phase transition

Molecular dynamics phase diagram

Molecular flow, single-phase

Molecular imprinted polymers stationary phases, preparation

Molecular interactions, phase transitions

Molecular mixed phases

Molecular orbitals phases

Molecular orbitals phasing

Molecular phase integral

Molecular phase space

Molecular recognition involving small gas-phase molecules

Molecular simulations phase characterization using

Molecular solute with stationary phase surfac

Molecular solution-phase switching

Molecular structure, role liquid-phase synthesis

Molecular structures phase cluster formation

Molecular systems component phase continuous tracing

Molecular systems experimental phase probing

Molecular systems modulus and phase

Molecular systems modulus-phase relations

Molecular systems phase factors

Molecular systems topological phase

Molecular systems, quantum interference phase control

Molecular weight determination vapor-phase osmometry

Molecular-Level Measurements of the Hydrate Phase

Molecular-exclusion normal-phase

Molecularly Imprinted Solid Phase Extraction of Pharmaceuticals

Molecularly imprinted polymer solid-phase

Molecularly imprinted polymer solid-phase extraction

Molecularly imprinted polymers in solid phase extraction

Molecularly imprinted solid phase extraction

Molecularly imprinted solid phase extraction MISPE)

Molecularly imprinted solid phase extraction examples

Molecularly imprinted solid phase extraction with pulsed elution

Nematic liquid crystal phase molecular arrangements

Nematic liquid crystal phase molecular features

New phases from the molecular model

Non-molecular phases

Octahedral molecular clusters, phase

Organic phases molecular interaction

Organic phases molecular properties

Phase Structure and Molecular Ordering

Phase characterization molecular simulations

Phase dependence of molecular structures

Phase diagram molecular weight dispersity

Phase equilibrium in the crosslinked polymer low-molecular-weight liquid system

Phase problem molecular replacement

Phase transition-molecular weight

Phase transition-molecular weight relationship

Phase transitions molecular approaches

Phase transition—molecular weight polymers

Phase-inverting reactions molecular model

Phase-separated macro-molecular

Phases in atomic and molecular

Phases in atomic and molecular orbitals

Phases molecular alignment

Phases molecular orientation

Phases molecular replacement

Reverse phase method development molecular weight

Solid molecular comparison with other phases

Solid-state phases to molecular clusters

Solution phase analysis, molecular geometry

Solution-phase Molecular STM Junctions

Stationary phases molecular sieves

The Molecular Phase Space

The gas phase molecular structures of phosphorus pentafluoride and pentachloride

Three-dimensional model phases molecular interaction

Three-dimensional model phases molecular properties

Two-state molecular system, non-adiabatic Herzberg-Longuet-Higgins phase

Vapor-phase molecular layer epitaxy

Worth and M. A. Robb onical Intersections in Molecular Photochemistry The Phase-Change Approach

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