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Energy transition energy

More differences are appreciated in the values of the orbital energies, transition energies, and oscillator strengths. First of all one should say that it is pointless to try and evaluate oscillator strengths, quantities very sensitive to defficiencies in the functions. A similar situation exists even in smaller systems, for which more accurate calculations than the ones described here are carried out. [Pg.22]

It may be iisefiil to mention here one currently widely applied approximation for barrierless reactions, which is now frequently called microcanonical and canonical variational transition state theory (equivalent to the minimum density of states and maximum free energy transition state theory in figure A3,4,7. This type of theory can be understood by considering the partition fiinctions Q r ) as fiinctions of r similar to equation (A3,4.108) but with F (r ) instead of V Obviously 2(r J > Q so that the best possible choice for a... [Pg.784]

Vossmeyer T et al 1994 CdS nanoolusters synthesis, oharaoterization, size dependent osoillator strength, temperature shift of the exitonio transition energy and reversible absorbanoe shift J. Phys. Chem. 98 7665... [Pg.2915]

The connection between transition energy AEand fretpiency v is given by Einstein s classic formula... [Pg.336]

Valenee electrons are repelled by other eleetrons in valenee orbitals of the same carbon atom, a one-center, two-eleetron repulsion. These interactions are often parameterized with speetroseopic transition energies. [Pg.280]

Here P°g,v is a eonstant (having energy units) eharaeteristie of the bonding interaetion between X i and Xv its value is usually determined by foreing the moleeular orbital energies obtained from sueh a qualitative orbital treatment to yield experimentally eorreet ionization potentials, bond dissoeiation energies, or eleetronie transition energies. [Pg.197]

The electronic partition function of the transition state is expressed in terms of the activation energy (the energy of the transition state relative to the electronic energy of the reactants) E as ... [Pg.514]

Likewise, quantum mechanical calculation succeeds in giving a theoretical explanation of some facts that the resonance theory could not explain, for example, why bis(pyridine-2)monomethine cyanine and bis(pyridine-4)monomethine cyanine possess the same lowest energy transition contrary to the 2,2 - and 2,4 -quinoline monomethine dyes, together with a molecular coefficient extinction lower than that of the 4,4 -quinoline dye (11). Calculation shows also that there is no theoretical reason for observing a relationship between and pK in a large series of dyes with different nuclei as it has been postulated, even if limited observations and calculations in short homogeneous series could lead to this conclusion (105). [Pg.73]

TABLE 1-19. ULTRAVIOLET ABSORPTION SPECTRA OF THIAZOLIUM TOSYLATES IN EtOH (186) COMPARED WITH CALCULATED TRANSITION ENERGIES (187)... [Pg.51]

As we saw in Chapter 5 dehydrations and dehydrohalogenations are typically regiose lective m the direction that leads to the most stable double bond Conjugated dienes are more stable than isolated dienes and are formed faster via a lower energy transition state... [Pg.404]

The sp hybridized carbon of an acyl chloride is less sterically hindered than the sp hybridized carbon of an alkyl chloride making an acyl chloride more open toward nude ophilic attack Also unlike the 8 2 transition state or a carbocation intermediate m an Stvfl reaction the tetrahedral intermediate m nucleophilic acyl substitution has a stable arrangement of bonds and can be formed via a lower energy transition state... [Pg.841]

Because both spins are in the transverse plane and transition energy levels are matched, energy can be transferred from the protons to the nuclei. In this manner the rate of repolarization is controlled by rather than by Because the protons can interchange energy by spin-diffusion only a single-proton exists and its value is usually on the order of 1 s. As a result the preparation delay can be reduced from 10 s to about 5 s increasing the number of transients, which can be acquired by two or more orders of magnitude. [Pg.409]


See other pages where Energy transition energy is mentioned: [Pg.559]    [Pg.231]    [Pg.628]    [Pg.110]    [Pg.450]    [Pg.559]    [Pg.628]    [Pg.110]    [Pg.450]    [Pg.158]    [Pg.51]    [Pg.876]    [Pg.1218]    [Pg.1292]    [Pg.1292]    [Pg.1306]    [Pg.1307]    [Pg.1308]    [Pg.1317]    [Pg.1318]    [Pg.1323]    [Pg.1779]    [Pg.2419]    [Pg.70]    [Pg.307]    [Pg.202]    [Pg.409]    [Pg.607]    [Pg.72]    [Pg.1265]    [Pg.307]    [Pg.307]    [Pg.263]    [Pg.366]    [Pg.491]    [Pg.493]    [Pg.493]    [Pg.494]   
See also in sourсe #XX -- [ Pg.508 ]




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Activation energies, glass transition

Activation energies, glass transition polystyrene

Activation energy for the glass transition

Activation energy polymer transitions

Activation energy relation with Transition-state theory

Activation energy soft segment glass transition

Activation energy transition-state complex

Activation energy transitions

Activation energy, apparent transition state theory

Anchoring energy transition

Anti-Stokes transitions, energy level

Application of linear free energy relationships to elucidate E2 transition state structure

Atomic spectroscopy energy transitions

Auger transitions, energies

Benzene charge transfer transition energy

Benzene transition energies

Biphenyl transition energies

Bond dissociation energies , transition metal

Bond energies transition-metal—hydrogen

Canonical variational transition-state theory . potential energy

Charge-transfer absorption band transition energy corresponding

Charge-transfer transition energy

Cohesive energy of transition metals

Configuration energy transition metals

Configuration interaction electronic transition energies

Coulomb energy transition metal complexes

Defect level spectroscopy - optical transition energies

Defects optical transition energies

Defects transition energies

Describing a Reaction Energy Diagrams and Transition States

Dissociation energies, transition metal

Dissociation energies, transition metal metals

Distribution transition energy

Donor transition energy

Effects of the Surroundings on Molecular Transition Energies

Electronic Excitation Energies and Transition Moments

Electronic energies, transition state

Electronic energy levels and transitions in transition-metal complexes

Electronic transition energies, matrix

Electronic transition energy

Electronic transitions, between quantized energy levels

Electrons, energy transitions among

Energies and Transition States

Energies of Phase Transitions

Energies of transitions

Energy Exchange and Transition-State Theory

Energy Levels and Transitions in an AX System

Energy Rayleigh transitions

Energy Stokes transitions

Energy Transitions and Mixed States

Energy Variation Under Transition from Bulk to Clusters

Energy anti-Stokes transitions

Energy balance transition time

Energy excited transition

Energy gap law for radiationless transitions

Energy level diagrams and crystal field spectra of transition metal ions

Energy levels and radiative transitions

Energy levels and transitions

Energy levels electronic transitions

Energy levels of transition states

Energy levels transition elements

Energy levels, transitions

Energy levels, transitions actinides

Energy levels, transitions glasses

Energy magnetic dipole transition

Energy of electronic transitions

Energy of intermediates and transition state

Energy of optical transition

Energy of transition states

Energy optical transition

Energy pattern, charge-transfer transitions

Energy sources inverse temperature transitions

Energy states rules governing transition between

Energy states, transitions between

Energy transfer from transition metal ions

Energy transfer from transition metal ions elements

Energy transfer, nonadiabatic transition

Energy transition metal bonding

Energy transition moments

Energy transition probabilities

Energy transitions, electromagnetic

Exchange energy transition metals

Excitation energies transition metals

Excitation energy, charge-transfer transitions

Excited transition, energy density required

First ionization energy transition elements

Free Energies from Transition Path Sampling Simulations

Free energy in phase transition

Free energy of transition

Gamma transitions, recoil energy

Gibbs free energy equation, glass transition

Gibbs free energy equation, glass transition polymers

Gibbs free energy first-order transitions

Gibbs free energy glass transition temperature

Gibbs free energy profiles transition states

Glass transition temperature cohesive energy density

Glass transition temperature, potential energy

Glass-transition temperature ligand field stabilization energies

High-energy transition

Historical transitions of energy sources

Hydrocarbon activation transition-state energies

Inelastic transition probabilities transitional energy

Ionization energy transition elements

Kinetic energy phase-space transition states

Kinetic energy transition state theory

Laws transition states free energy

Light transitions between energy

Liquid-vapor phase transition molar Gibbs energy

Lorentzian distribution resonant transition energies

Low-energy LMCT transitions

Lowest energy transition state

Lowest-energy transition states, enamine

Mean transition energy

Minimum energy path transition state theory

Mossbauer spectroscopy transition energy

Nonradiative Transitions in Rare Earth Ions The Energy-Gap Law

Oligothiophenes transition energies

Order Parameter, Phase Transition, and Free Energies

Phase transitions Gibbs energy

Phase transitions free energy density

Phenol blue transition energy

Photochemical energy transition metals

Plasma density, transition energy

Poly transition energies

Polyacetylene transition energies

Polyene transition energy

Potential Energy Surface Molecular Structure, Transition States, and Reaction Paths

Potential energy diagram electronic transitions

Potential energy surface Quantum-mechanical transition

Potential energy surface generalized transition state

Potential energy surface methyl radical transition state

Potential energy surface transition path sampling

Potential energy surface transition rates

Potential energy surface transition states

Potential energy surface transition structures

Potential energy surfaces bifurcations, transition states

Potential energy surfaces variational transition state theory

Properties of the potential energy surface relevant to transition state theory

Radiationless transitions energies

Radiationless transitions energy transfer

Radioactive decay transition energy

Rare energy transitions, diagram

Rayleigh transitions, energy level

Recoil Energy Loss in Free Atoms and Thermal Broadening of Transition Lines

Relaxation Activation Energy of Polymers in the Glass Transition Region

Relaxation energy, charge-transfer transitions

Repulsion energy, charge-transfer transitions

Resonance energy transition states

Rotational transition energy

Roughening transition free energy

Silica transition energies

Solids energy band transitions

Spin-pairing transitions energies

Statistical thermodynamics transitional energy levels

Stokes, transitions energy level

Surface energy of transition metals

The Gibbs Energy and Phase Transitions

The energy transitions

Transition Fermi energy

Transition State Distortion Energy

Transition State Theory Free-Energy Diagrams

Transition Structures on a Potential Energy Surface

Transition adsorption energy

Transition atomic energies

Transition between energy levels

Transition binding energies

Transition bond energy

Transition cohesive energy

Transition element complexes energy-level diagrams

Transition energies

Transition energies

Transition energies and intensities

Transition energies, calculation

Transition energies, calculation system

Transition energies, calculations for

Transition energies, estimates

Transition energy density

Transition energy diagram

Transition energy frequency)

Transition energy influencing factors

Transition energy mixture

Transition energy pressure

Transition energy ranges

Transition energy ranges structure spectroscopy

Transition energy ratios

Transition energy relationship

Transition energy, charge-transfer transitions

Transition energy, effect

Transition energy, effect systems

Transition excitation energies

Transition free energy difference

Transition intensities energy accuracy

Transition metal carbonyls bonding energies

Transition metal carbonyls energies

Transition metal complex energy levels

Transition metal compounds lattice energies

Transition metal ions, potential energy surface

Transition metal nitrosyl complexes energy

Transition metal-lanthanides, energy

Transition metal-lanthanides, energy transfer

Transition metals bond energy

Transition metals cohesive energy

Transition metals energy bands

Transition metals energy levels

Transition metals ionization energy

Transition metals ligand field stabilization energy

Transition metals orbital energies

Transition metals, segregation energies

Transition stabilization energies

Transition state HOMO-LUMO energies

Transition state activation energy

Transition state and activation energy

Transition state energies, hydrocarbon

Transition state energy barrier

Transition state energy dependence

Transition state energy diagram

Transition state energy level

Transition state of lowest energy

Transition state theory , development potential energy surfaces

Transition state theory activation energy

Transition state theory potential energy surface

Transition state theory zero-point energy

Transition state theory, configuration and potential energy

Transition state, symmetric energy dependence

Transition states and energy barriers

Transition states product energies

Transition-group complexes, forbidden transitions electronic energies

Transition-state energies

Transition-state energies for

Transition-state energies in bromination

Transition-state energy determination

Transition-state theory energy minimization

Transitions association free energy

Transitions between Electron Energy Bands in Solids

Transitions between Stationary State Energy Levels

Transitions between energy levels, origins

Transitions energy bands

Transitions energy transfer

Transitions triplet state energy correlation

Trends in Transition State Resonance Energies

Vibrational energy transitions

Vibrational spectroscopy energy level transitions

Zero point vibrational energy transition state theory

Zero-point energy variational transition state theory

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