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Predicting/understanding

Given the powerful techniques that can now be brought to bear on these problems, we stand on the threshold of a new era and confidently look forward to achieving a systematic and predictive understanding of the electronic state properties of all the actinide hexafluorides. [Pg.173]

Starting point for the study of electrochemical systems. Certainly, the ability to predict, understand, and ultimately control electrochemical reactions requires also knowledge of process kinetics. [Pg.58]

The illustrative examples could be produced only by using both fire dynamics and human factor information, which contains many crude approximations to the real world and omits completely many important effects. However, it is clear that real progress is being made toward attaining a sufficiently accurate predictive understanding of fire and its consequences so that a performance code can eventually be attained. The computer fire codes need to be made more comprehensive. There needs to be a mechanism set up to evaluate the validity of computer fire codes for use with a legal performance code, just as is done with all other legal codes. [Pg.82]

Apply simple ideas regarding energy levels to a predictive understanding of the feasibility of semiconductor-photosensitised redox reactions, including water-splitting reactions. [Pg.197]

One aspect of the research will examine equilibrium aspects of solvation at hydro-phobic and hydrophilic interfaces. In these experiments, solvent dependent shifts in chromophore absorption spectra will be used to infer interfacial polarity. Preliminary results from these studies are presented. The polarity of solid-liquid interfaces arises from a complicated balance of anisotropic, intermolecular forces. It is hoped that results from these studies can aid in developing a general, predictive understanding of dielectric properties in inhomogeneous environments. [Pg.509]

Rodgers, T. and Rowland, M. (2007) Mechanistic approaches to volume of distribution predictions understanding the processes. Pharmaceutical Research,... [Pg.239]

These include drugs, pesticides, environmental pollutants, industrial chemicals, and food additives about which we need to know much, particularly concerning their safety. Of particular importance, therefore, is the ability to predict, understand, and treat toxicity as shown by examples such as paracetamol hepa to toxicity (see chap. 7). [Pg.2]

Recent pelagic sediments containing over 30% calcium carbonate, by dry weight, cover a quarter of the surface of the earth (see Figure 1). These sediments make up a vast and chemically reactive carbonate reservoir which has a major influence on the chemistry of the oceans and atmosphere. In order to have a predictive understanding of the natural carbon dioxide system and the influence of man on it, the chemical dynamics of calcium carbonate deposition in the deep ocean basins must be known in detail. [Pg.499]

Harding, L. W., Jr., MaUonee, M. E., and Perry, E. S. (2002). Toward a predictive understanding of primary productivity in a temperate, partially stratified estuary. Estuar. Coast. Shelf Sd. 55, 437—463. [Pg.860]

To sum up this rather technical analysis, it seems indisputable that the fitting of classical "monolayer" zeolites to IPMS is not just an elegant mathematical curiosity. The quantitative analysis that follows from this description allows predictions of framework densities as a function of the network topology. This understanding of structure, which views the (Euclidean) three-dimensional structure in terms of its intrinsic two-dimensional hyperbolic geometry opens up a predictive understanding of structure. [Pg.63]

Most commercial remote sensing endeavors focus on the observation of gradual change (hours, days or months) to enhance meteorological predictions, understand climate change, and improve crop management. To effectively characterize the battle space, the military is often interested in dynamic events occurring on much shorter timescales, from... [Pg.277]

With advancements in computer power and the advantage of reasonable scalability to larger systems, density functional theory has made computational chemistry widely accessible in the chemical sciences, permitting direct comparisons to be made between theory and a wide variety of experiments. Examples of the application of density functional theory for prediction, understanding, and interpretation in surface science and heterogenous catalysis include ... [Pg.89]

Predictive understanding. Modeling and simulation studies of the biological system being investigated should make it now possible to predict the outcome of specific changes in the pathway or network. [Pg.171]

Despite the many advances made in understanding the factors governing SOC behavior described in the preceding sections, a major barrier to a refined predictive understanding of the behavior of the SOC pool at the global scale is exemplified by the quote above. Similar statements are echoed in virtually all studies that attempt to compare or compile results from published studies. [Pg.190]

In overall terms, difficulties we have in predicting, understanding and measuring ADRs hamper preventive efforts but, even if those limitations could be overcome, the mechanisms to minimise as far as possible serious ADRs would still need to be improved. [Pg.90]


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Future directions predicting/understanding

Kohn-Sham Density Functional Theory Predicting and Understanding Chemistry

Predicting/understanding directions

Understanding and Predicting Interference

Understanding and Predicting Protein Structure

Understanding and Predicting Trends in ORR Activity on Transition-Metal Catalysts

Understanding and predicting clinical drug effects

Understanding and predicting stiffness in advanced fibre-reinforced polymer (FRP) composites for structural applications

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