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Energy complex

In turn, an expression for is obtained, which, in the frequency domain, consists of a numerator containing a product of (.s + 1) transition moment matrix elements and a denominator of. s complex energy... [Pg.1182]

Styrene is manufactured from ethylbenzene. Ethylbenzene [100-41-4] is produced by alkylation of benzene with ethylene, except for a very small fraction that is recovered from mixed Cg aromatics by superfractionation. Ethylbenzene and styrene units are almost always installed together with matching capacities because nearly all of the ethylbenzene produced commercially is converted to styrene. Alkylation is exothermic and dehydrogenation is endothermic. In a typical ethylbenzene—styrene complex, energy economy is realized by advantageously integrating the energy flows of the two units. A plant intended to produce ethylbenzene exclusively or mostly for the merchant market is also not considered viable because the merchant market is small and sporadic. [Pg.477]

The counterpoise corrected complexation energy is given as A eompLexaUan — AEcp- For regular basis sets this typically stabilizes at the basis set limiting value much earlier than the uncorrected value, but this is not necessarily the case if diffuse functions are included in tlie basis set. [Pg.173]

Big or small, simple or complex, energy converters must all subscribe to the principle of conservation of energy. Each one converts energy into some form regarded as useful, and each one diverts energy that is not immediately useful and may never be useful. Because energy is diverted, the efficiency defined as... [Pg.286]

Theoretical studies aimed at rationalizing the interaction between the chiral modifier and the pyruvate have been undertaken using quantum chemistry techniques, at both ab initio and semi-empirical levels, and molecular mechanics. The studies were based on the experimental observation that the quinuclidine nitrogen is the main interaction center between cinchonidine and the reactant pyruvate. This center can either act as a nucleophile or after protonation (protic solvent) as an electrophile. In a first step, NH3 and NH4 have been used as models of this reaction center, and the optimal structures and complexation energies of the pyruvate with NH3 and NHa, respectively, were calculated [40]. The pyruvate—NHa complex was found to be much more stable (by 25 kcal/mol) due to favorable electrostatic interaction, indicating that in acidic solvents the protonated cinchonidine will interact with the pyruvate. [Pg.56]

Table 13-4. Complexation energy (AEC) and barrier heights (Al .oh and Al .h. see text) for the gas phase bimolecular Sn2 identity reaction CE + CH3C1 —> C1CH3 + Cl" [kcal/mol]. HF and DFT calculations were done with the 6-311+G(d,p) basis set and include zero-point vibrational contributions. [Pg.262]

In a-methyl-benzylcalcium and a-Me3Si-benzylcalcium complexes, energy barriers for inversion of the chiral benzylic carbon (17-19 kcal mol-1) are concentration independent, suggesting that a dissociative mechanism is involved that involves Ca-Ca bond breakage. The a-methyl-benzylcalcium compounds are less stable and show a... [Pg.120]

In (2.43), p must be small, because a cyclic crystal supports only delocalized states, so the poles at X / X° are located close to the unit-circle contour. This observation is connected with the notion of complex energy ( 3.2), since, for p small, (2.43) in (1.18) ... [Pg.30]

A better method is the average t-matrix approximation (ATA) (Korringa 1958), in which the alloy is characterized by an effective medium, which is determined by a non-Hermitean (or effective ) Hamiltonian with complex-energy eigenvalues. The corresponding self-energy is calculated (non-self-... [Pg.92]


See other pages where Energy complex is mentioned: [Pg.1028]    [Pg.1182]    [Pg.2308]    [Pg.446]    [Pg.290]    [Pg.77]    [Pg.192]    [Pg.218]    [Pg.173]    [Pg.173]    [Pg.302]    [Pg.116]    [Pg.240]    [Pg.524]    [Pg.233]    [Pg.262]    [Pg.263]    [Pg.48]    [Pg.50]    [Pg.51]    [Pg.56]    [Pg.291]    [Pg.102]    [Pg.104]    [Pg.105]    [Pg.316]    [Pg.40]    [Pg.133]    [Pg.527]    [Pg.550]    [Pg.161]    [Pg.264]    [Pg.35]    [Pg.36]    [Pg.55]    [Pg.97]    [Pg.98]    [Pg.106]    [Pg.413]    [Pg.387]   
See also in sourсe #XX -- [ Pg.125 , Pg.126 ]

See also in sourсe #XX -- [ Pg.179 , Pg.217 , Pg.373 ]

See also in sourсe #XX -- [ Pg.330 ]




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Activated complex energy

Activated complex theory potential energy surfaces

Activated complexes, energy levels

Activated complexes, energy levels structure

Activation energy for complex reactions

Activation energy transition-state complex

Activation, energy activated complex

Alkali metal complexes hydration energies

Antenna complexes, energy transfer

Binding Energies of H2 and a Ligands to Stable Complexes

Binding energy differences complexes

Binuclear complex energy parameters

Bond dissociation energies hydrocarbon-metal complexes

Bond energies complex hydrides

Bond energy thermally unstable complexes

Borane complexes energies

Chromium complex energy parameter

Complex adiabatic energies, comparison

Complex conjugate energy

Complex energy formalism

Complex energy landscapes, minima

Complex energy level method

Complex energy levels

Complex fluids free-energy calculations

Complex reaction, activation energy

Complex system energy balance

Complex systems Coulomb energy differences

Complex systems electrostatic energy

Complex systems energy distributions

Complex systems self-energy correction

Complexation energies

Complexation energy, aniline-water complex

Complexation free energy

Complexes crystal field stabilization energy

Complexes rehybridization energies

Coordination complexes, bonding energy levels

Coulomb energy transition metal complexes

Crystal field stabilization energy, octahedral complexes

Defect complex binding energies

Diatom complexes energy transfer collision

Effects Due to More Complex Potential-Energy Surfaces

Electron Affinities and Charge Transfer Complex Energies

Electron-, Energy-, and Atom-Transfer Reactions between Metal Complexes

Electronic energy levels and transitions in transition-metal complexes

Endohedral complex, stabilization energy

Endohedral fullerene complexes energy

Energy Transfer Quenching Antenna Complexes

Energy Transfer Within Noncovalently Linked Donor-Acceptor Complex

Energy Transfer in DNA Complexes

Energy enzyme-inhibitor complex

Energy enzyme-substrate complex

Energy level scheme for square-planar complexes

Energy matrices complex conjugate

Energy of complexation

Energy transfer by complex formation

Energy transfer cyano-bridged complexes

Energy transfer heterometallic complexes

Energy transfer quenching by metal complexes

Energy transfer ruthenium polypyridine complexes

Exploring Complex Energy Surfaces

Franck-Condon factors complex energy levels

Free Energy Calculations on DNA Ligand Complexes

Free energy chromium complex

Free energy complex cation exchange

Free energy complex reaction

Free energy of complexation

Free-energy perturbation , complex

Gibbs free energy mixed complexes

Green functions complex energy

Hydrogen bonding complex energy levels method

Hydrogen bonding computed complex formation energies

Interelectronic repulsion energy complexes

Intermolecular complexation energies

Iron complex energy parameters

Lanthanide complexes ligand-metal energy-transfer efficiency

Lattice Energies and Thermochemistry Hexahalometallate Complexes

Ligand field stabilization energies complexes

Light-harvesting complex energy transfer

Molecular systems complex energy quantization

Nickel complexes ligand field stabilization energies

Octahedral complexes energies

Octahedral complexes energy changes

Octahedral complexes energy-level diagram

Octahedral complexes, energy difference

Olefin complexes bond dissociation energy

Orbital Energies for Five-Coordinate Complexes above

Orbital energy diagram complexes

Organometallic complexes reaction energies

Polynuclear complexes energy transfer

Potential energy curves case /-complex

Potential energy curves mixed valence complexes

Potential energy surface activated complex

Potential energy surface complexes

Potential energy surface intermediate complex

Protein-inhibitor complexes, conformational energies

Pyridine, complexes with non-metals—contd localization energies

Resonance complex energy

Square planar complex energy level diagram

Square-planar complexes, effect energy levels

Stark levels complex energy

Structural complexity, active sites reaction free energy

Surface complexes energies

TPD complexes hole injection energy levels

Tetrahedral complexes energies

Tetrahedral complexes energy level diagram

Tetranuclear complexes, energy-transfer processes

The Complex-Energy Effective Hamiltonian

Total complexation free energy

Transition element complexes energy-level diagrams

Transition metal complex energy levels

Transition metal nitrosyl complexes energy

Transition-group complexes, forbidden transitions electronic energies

Triatomic complex potential energy surface

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