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State contributions

Throughout the industrialized world over the past two centuries, coal became relied upon as an energy source for industrial processes and for residential heat. In the United States, all the coal consumed before the year 1800—much of it imported from Britain—amounted to only 108,000 tons, which is one ten-thousandth of current annual U.S. production. Until 1840, wood exceeded coal as an energy source. However, coal then began a slow, steady expansion in usage, and, for over a century, until 1951, it was the chief energy source in the United States, contributing in the area of transportation (railroads) as well as the earlier, familiar sectors of industrial processes and residential heat. [Pg.254]

Which Receptor States Contribute to Cell Activation Of the three states, LRG appears and breaks up during transduction and LRX forms after cell activation. The role of LR is less clear. Conceptually, an LR state in cells can be viewed either as a remnant of the ternary complex which dissociates during transduction... [Pg.63]

On the other hand, the significantly different shift of the Ag core levels and the Fermi edge suggests that the observed changes cannot be explained by a simple final state effect. In addition, taking into account that the BE shift of the Ag 3d levels can be separated into a AF initial state contribution and a h.R final state contribution [96,164]... [Pg.93]

The Mossbauer spectra of the complex [Fe(acpa)2]PF6 shown in Fig. 26 have also been interpreted on the basis of a relaxation mechanism [168]. For the calculations, the formalism using the modified Bloch equations again was employed. The resulting correlation times x = XlXh/(tl + Xh) are temperature dependent and span the range between 1.9 x 10 s at 110 K and 0.34 x 10 s at 285 K. Again the correlation times are reasonable only at low temperatures, whereas around 200 K increase of the population of the state contributes to... [Pg.121]

In the case of a charge transfer molecule such as paranltro-anlllne, only two electronic states contribute significantly in the visible range. The rest of the spectrum contributes a small, If not negligible, additive background. In the latter case, p reduces to ... [Pg.86]

The polar carbonyl group interacts with the polar transition state of the reaction between the peroxyl radical and the C—H bond of the aldehyde. This interaction lowers the activation energy of this reaction (see Section 8.1.4). As a result, all the three factors, viz., the strong RC(0)00—H bond formed, the weak C—H bond of the oxidized aldehyde, and the polar interaction in the transition state, contribute to lowering the activation energy of the reaction RC(0)00 + RCH(O) and increasing the rate constant of the chain propagation reaction (see Section 8.1.4). [Pg.326]

All three isoforms can diverge from their functional regulatory roles and during disease states contribute to NO mediated pathologies of the CNS. Excessive accu-... [Pg.347]

The last term in eq(23) in the ground electronic state contributes with repulsive effects that results from the Pauli exclusion principle. It is common practice to include them in many approximate treatments via a 1/R12 repulsive term in the potential energy... [Pg.296]

Excited triplet states n) with energy E are included in the sum for the FC and SD terms, while excited singlet states contribute to the OP term. Recalling the spectral representation of the polarization propagator for zero frequency w [60]... [Pg.164]

Kinetics of peroxodisulfate oxidation of [Fe(terpy)(CN)3] in water and in binary aqueous solvent mixtures have been analyzed, with the aid of measured solubilities of [Ph4As][Fe(terpy)(CN)3], to separate the initial state and transition state contributions to the observed reactivity trend. ... [Pg.456]

The knowledge of the excited state contributions to a and P is of importance not only for understanding the origin of the responses but also for computational purposes. Indeed, for medium-size molecules like / -nitroaniline or small molecules studied with extended basis sets, the full configuration space becomes rapidly very huge and out of reach for a complete ab initio treatment. Therefore, if one needs to tmncate the configuration space, one has to ensure that the most contributing excited states are present and correctly reproduced. [Pg.114]


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Domalski-Hearing Group Contribution Values for Standard State Thermal Properties

Excited states contribution

Group Contribution Equation of State

Group Contribution with Association Equation of State (GCA-EoS)

VTPR Group Contribution Equation of State

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